4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]-N-[2-(tert-butylamino)-2-oxoethyl]benzamide;4-[4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]phenyl]-N-[3-[4-[5,5-dimethylhexyl(methyl)amino]butyl-methylamino]propyl]-4-oxobutanamide;4-[4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]phenyl]-N-[3-(10,10-dimethylundecylamino)propyl]-4-oxobutanamide;tert-butyl 2-[[4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]benzoyl]amino]acetate;N-[4-[2-butyl-4-(tert-butylamino)imidazo[4,5-c]quinolin-1-yl]oxybutyl]octadecanamide

C159H249N37O15 — CID 160842959

IUPAC4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]-N-[2-(tert-butylamino)-2-oxoethyl]benzamide;4-[4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]phenyl]-N-[3-[4-[5,5-dimethylhexyl(methyl)amino]butyl-methylamino]propyl]-4-oxobutanamide;4-[4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]phenyl]-N-[3-(10,10-dimethylundecylamino)propyl]-4-oxobutanamide;tert-butyl 2-[[4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]benzoyl]amino]acetate;N-[4-[2-butyl-4-(tert-butylamino)imidazo[4,5-c]quinolin-1-yl]oxybutyl]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NCCCCOn1c(CCCC)nc2c(NC(C)(C)C)nc3ccccc3c21.CCCCNc1nc(N)c2[nH]c(=O)n(Cc3ccc(C(=O)CCC(=O)NCCCN(C)CCCCN(C)CCCCC(C)(C)C)cc3)c2n1.CCCCNc1nc(N)c2[nH]c(=O)n(Cc3ccc(C(=O)CCC(=O)NCCCNCCCCCCCCCC(C)(C)C)cc3)c2n1.CCCCNc1nc(N)c2[nH]c(=O)n(Cc3ccc(C(=O)NCC(=O)NC(C)(C)C)cc3)c2n1.CCCCNc1nc(N)c2[nH]c(=O)n(Cc3ccc(C(=O)NCC(=O)OC(C)(C)C)cc3)c2n1
InChIInChI=1S/C40H67N5O2.C37H61N9O3.C36H58N8O3.C23H32N8O3.C23H31N7O4/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-21-22-30-36(46)41-31-25-26-32-47-45-35(29-9-7-2)43-37-38(45)33-27-23-24-28-34(33)42-39(37)44-40(3,4)5;1-7-8-21-40-35-42-33(38)32-34(43-35)46(36(49)41-32)27-28-14-16-29(17-15-28)30(47)18-19-31(48)39-22-13-26-45(6)25-12-11-24-44(5)23-10-9-20-37(2,3)4;1-5-6-24-40-34-42-32(37)31-33(43-34)44(35(47)41-31)26-27-15-17-28(18-16-27)29(45)19-20-30(46)39-25-14-23-38-22-13-11-9-7-8-10-12-21-36(2,3)4;1-5-6-11-25-21-28-18(24)17-19(29-21)31(22(34)27-17)13-14-7-9-15(10-8-14)20(33)26-12-16(32)30-23(2,3)4;1-5-6-11-25-21-28-18(24)17-19(29-21)30(22(33)27-17)13-14-7-9-15(10-8-14)20(32)26-12-16(31)34-23(2,3)4/h23-24,27-28H,6-22,25-26,29-32H2,1-5H3,(H,41,46)(H,42,44);14-17H,7-13,18-27H2,1-6H3,(H,39,48)(H,41,49)(H3,38,40,42,43);15-18,38H,5-14,19-26H2,1-4H3,(H,39,46)(H,41,47)(H3,37,40,42,43);7-10H,5-6,11-13H2,1-4H3,(H,26,33)(H,27,34)(H,30,32)(H3,24,25,28,29);7-10H,5-6,11-13H2,1-4H3,(H,26,32)(H,27,33)(H3,24,25,28,29)
InChIKeySIGPFCREOLTDAN-UHFFFAOYSA-N
MW2918.98 g/mol
LogP25.84
Rot. Bonds90

About 4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]-N-[2-(tert-butylamino)-2-oxoethyl]benzamide;4-[4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]phenyl]-N-[3-[4-[5,5-dimethylhexyl(methyl)amino]butyl-methylamino]propyl]-4-oxobutanamide;4-[4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]phenyl]-N-[3-(10,10-dimethylundecylamino)propyl]-4-oxobutanamide;tert-butyl 2-[[4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]benzoyl]amino]acetate;N-[4-[2-butyl-4-(tert-butylamino)imidazo[4,5-c]quinolin-1-yl]oxybutyl]octadecanamide

4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]-N-[2-(tert-butylamino)-2-oxoethyl]benzamide;4-[4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]phenyl]-N-[3-[4-[5,5-dimethylhexyl(methyl)amino]butyl-methylamino]propyl]-4-oxobutanamide;4-[4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]phenyl]-N-[3-(10,10-dimethylundecylamino)propyl]-4-oxobutanamide;tert-butyl 2-[[4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]benzoyl]amino]acetate;N-[4-[2-butyl-4-(tert-butylamino)imidazo[4,5-c]quinolin-1-yl]oxybutyl]octadecanamide (PubChem CID 160842959) has the molecular formula C159H249N37O15 and a molecular weight of 2918.98 g/mol. Its IUPAC name is 4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]-N-[2-(tert-butylamino)-2-oxoethyl]benzamide;4-[4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]phenyl]-N-[3-[4-[5,5-dimethylhexyl(methyl)amino]butyl-methylamino]propyl]-4-oxobutanamide;4-[4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]phenyl]-N-[3-(10,10-dimethylundecylamino)propyl]-4-oxobutanamide;tert-butyl 2-[[4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]benzoyl]amino]acetate;N-[4-[2-butyl-4-(tert-butylamino)imidazo[4,5-c]quinolin-1-yl]oxybutyl]octadecanamide.

Molecular Properties

Compound Name4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]-N-[2-(tert-butylamino)-2-oxoethyl]benzamide;4-[4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]phenyl]-N-[3-[4-[5,5-dimethylhexyl(methyl)amino]butyl-methylamino]propyl]-4-oxobutanamide;4-[4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]phenyl]-N-[3-(10,10-dimethylundecylamino)propyl]-4-oxobutanamide;tert-butyl 2-[[4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]benzoyl]amino]acetate;N-[4-[2-butyl-4-(tert-butylamino)imidazo[4,5-c]quinolin-1-yl]oxybutyl]octadecanamide
PubChem CID160842959
Molecular FormulaC159H249N37O15
Molecular Weight2918.98 g/mol
Exact Mass2916.99
IUPAC Name4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]-N-[2-(tert-butylamino)-2-oxoethyl]benzamide;4-[4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]phenyl]-N-[3-[4-[5,5-dimethylhexyl(methyl)amino]butyl-methylamino]propyl]-4-oxobutanamide;4-[4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]phenyl]-N-[3-(10,10-dimethylundecylamino)propyl]-4-oxobutanamide;tert-butyl 2-[[4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]benzoyl]amino]acetate;N-[4-[2-butyl-4-(tert-butylamino)imidazo[4,5-c]quinolin-1-yl]oxybutyl]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NCCCCOn1c(CCCC)nc2c(NC(C)(C)C)nc3ccccc3c21.CCCCNc1nc(N)c2[nH]c(=O)n(Cc3ccc(C(=O)CCC(=O)NCCCN(C)CCCCN(C)CCCCC(C)(C)C)cc3)c2n1.CCCCNc1nc(N)c2[nH]c(=O)n(Cc3ccc(C(=O)CCC(=O)NCCCNCCCCCCCCCC(C)(C)C)cc3)c2n1.CCCCNc1nc(N)c2[nH]c(=O)n(Cc3ccc(C(=O)NCC(=O)NC(C)(C)C)cc3)c2n1.CCCCNc1nc(N)c2[nH]c(=O)n(Cc3ccc(C(=O)NCC(=O)OC(C)(C)C)cc3)c2n1
InChIInChI=1S/C40H67N5O2.C37H61N9O3.C36H58N8O3.C23H32N8O3.C23H31N7O4/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-21-22-30-36(46)41-31-25-26-32-47-45-35(29-9-7-2)43-37-38(45)33-27-23-24-28-34(33)42-39(37)44-40(3,4)5;1-7-8-21-40-35-42-33(38)32-34(43-35)46(36(49)41-32)27-28-14-16-29(17-15-28)30(47)18-19-31(48)39-22-13-26-45(6)25-12-11-24-44(5)23-10-9-20-37(2,3)4;1-5-6-24-40-34-42-32(37)31-33(43-34)44(35(47)41-31)26-27-15-17-28(18-16-27)29(45)19-20-30(46)39-25-14-23-38-22-13-11-9-7-8-10-12-21-36(2,3)4;1-5-6-11-25-21-28-18(24)17-19(29-21)31(22(34)27-17)13-14-7-9-15(10-8-14)20(33)26-12-16(32)30-23(2,3)4;1-5-6-11-25-21-28-18(24)17-19(29-21)30(22(33)27-17)13-14-7-9-15(10-8-14)20(32)26-12-16(31)34-23(2,3)4/h23-24,27-28H,6-22,25-26,29-32H2,1-5H3,(H,41,46)(H,42,44);14-17H,7-13,18-27H2,1-6H3,(H,39,48)(H,41,49)(H3,38,40,42,43);15-18,38H,5-14,19-26H2,1-4H3,(H,39,46)(H,41,47)(H3,37,40,42,43);7-10H,5-6,11-13H2,1-4H3,(H,26,33)(H,27,34)(H,30,32)(H3,24,25,28,29);7-10H,5-6,11-13H2,1-4H3,(H,26,32)(H,27,33)(H3,24,25,28,29)
InChIKeySIGPFCREOLTDAN-UHFFFAOYSA-N
XLogP25.84
TPSA712.00 Ų
H-Bond Donors20
H-Bond Acceptors42
Rotatable Bonds90
Heavy Atoms211
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002918.98
LogP ≤ 525.84
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]-N-[2-(tert-butylamino)-2-oxoethyl]benzamide;4-[4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]phenyl]-N-[3-[4-[5,5-dimethylhexyl(methyl)amino]butyl-methylamino]propyl]-4-oxobutanamide;4-[4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]phenyl]-N-[3-(10,10-dimethylundecylamino)propyl]-4-oxobutanamide;tert-butyl 2-[[4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]benzoyl]amino]acetate;N-[4-[2-butyl-4-(tert-butylamino)imidazo[4,5-c]quinolin-1-yl]oxybutyl]octadecanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-amino-2-(butylamino)-9-[[4-(2,2-dimethylpropanoyl)phenyl]methyl]-7H-purin-8-one;4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]-N-[2-(tert-butylamino)-2-oxoethyl]benzamide;4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]-N-tert-butylbenzamide;4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]-N-(3,3-dimethyl-2-oxobutyl)benzamide;tert-butyl 4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]benzoate;tert-butyl 2-[[4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]benzoyl]amino]acetate;N-[4-[2-butyl-4-(tert-butylamino)imidazo[4,5-c]quinolin-1-yl]oxybutyl]octadecanamide
CID 161428809
4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]-N-[3-[4-[3-(propylamino)propylamino]butylamino]propyl]benzamide
CID 122591537
[3-[(2R)-3-[3-[4-[3-[[2-[[4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]benzoyl]amino]acetyl]amino]propylamino]butylamino]propylamino]-2-(hexadecanoylamino)-3-oxopropyl]sulfanyl-2-hexadecanoyloxypropyl] hexadecanoate
CID 78321084
4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]-N-[2-[[(5S)-15-(3-aminopropylamino)-5-(3-dihexadecoxyphosphorylpropylamino)-6-oxopentadecyl]amino]-2-oxoethyl]benzamide
CID 161244019
N-[[4-[[2-butyl-4-(tert-butylamino)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]tetradecanamide
CID 138645098
N-[[4-[[2-butyl-4-(tert-butylamino)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]octanamide
CID 138645094
N-[[4-[[2-butyl-4-(tert-butylamino)imidazo[4,5-c]quinolin-1-yl]methyl]phenyl]methyl]tridecanamide
CID 138644999
tert-butyl 4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]benzoate
CID 137414059
4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]-N-[6-[2-[3-[[5-(methylamino)-6-oxoheptyl]amino]-3-oxopropoxy]ethoxy]-2-oxohexyl]benzamide
CID 158900111
N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxyethoxy]ethyl]-4-tridecoxybutanamide
CID 142540673
methyl 4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]benzoate
CID 67263447
1-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]-3-(2,4,4-trimethylpentan-2-yl)urea
CID 123998715

Frequently Asked Questions

What is the IUPAC name of 4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]-N-[2-(tert-butylamino)-2-oxoethyl]benzamide;4-[4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]phenyl]-N-[3-[4-[5,5-dimethylhexyl(methyl)amino]butyl-methylamino]propyl]-4-oxobutanamide;4-[4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]phenyl]-N-[3-(10,10-dimethylundecylamino)propyl]-4-oxobutanamide;tert-butyl 2-[[4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]benzoyl]amino]acetate;N-[4-[2-butyl-4-(tert-butylamino)imidazo[4,5-c]quinolin-1-yl]oxybutyl]octadecanamide?
The IUPAC name of 4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]-N-[2-(tert-butylamino)-2-oxoethyl]benzamide;4-[4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]phenyl]-N-[3-[4-[5,5-dimethylhexyl(methyl)amino]butyl-methylamino]propyl]-4-oxobutanamide;4-[4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]phenyl]-N-[3-(10,10-dimethylundecylamino)propyl]-4-oxobutanamide;tert-butyl 2-[[4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]benzoyl]amino]acetate;N-[4-[2-butyl-4-(tert-butylamino)imidazo[4,5-c]quinolin-1-yl]oxybutyl]octadecanamide (CID 160842959) is 4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]-N-[2-(tert-butylamino)-2-oxoethyl]benzamide;4-[4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]phenyl]-N-[3-[4-[5,5-dimethylhexyl(methyl)amino]butyl-methylamino]propyl]-4-oxobutanamide;4-[4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]phenyl]-N-[3-(10,10-dimethylundecylamino)propyl]-4-oxobutanamide;tert-butyl 2-[[4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]benzoyl]amino]acetate;N-[4-[2-butyl-4-(tert-butylamino)imidazo[4,5-c]quinolin-1-yl]oxybutyl]octadecanamide.
What is the SMILES notation for 4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]-N-[2-(tert-butylamino)-2-oxoethyl]benzamide;4-[4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]phenyl]-N-[3-[4-[5,5-dimethylhexyl(methyl)amino]butyl-methylamino]propyl]-4-oxobutanamide;4-[4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]phenyl]-N-[3-(10,10-dimethylundecylamino)propyl]-4-oxobutanamide;tert-butyl 2-[[4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]benzoyl]amino]acetate;N-[4-[2-butyl-4-(tert-butylamino)imidazo[4,5-c]quinolin-1-yl]oxybutyl]octadecanamide?
The canonical SMILES for 4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]-N-[2-(tert-butylamino)-2-oxoethyl]benzamide;4-[4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]phenyl]-N-[3-[4-[5,5-dimethylhexyl(methyl)amino]butyl-methylamino]propyl]-4-oxobutanamide;4-[4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]phenyl]-N-[3-(10,10-dimethylundecylamino)propyl]-4-oxobutanamide;tert-butyl 2-[[4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]benzoyl]amino]acetate;N-[4-[2-butyl-4-(tert-butylamino)imidazo[4,5-c]quinolin-1-yl]oxybutyl]octadecanamide is CCCCCCCCCCCCCCCCCC(=O)NCCCCOn1c(CCCC)nc2c(NC(C)(C)C)nc3ccccc3c21.CCCCNc1nc(N)c2[nH]c(=O)n(Cc3ccc(C(=O)CCC(=O)NCCCN(C)CCCCN(C)CCCCC(C)(C)C)cc3)c2n1.CCCCNc1nc(N)c2[nH]c(=O)n(Cc3ccc(C(=O)CCC(=O)NCCCNCCCCCCCCCC(C)(C)C)cc3)c2n1.CCCCNc1nc(N)c2[nH]c(=O)n(Cc3ccc(C(=O)NCC(=O)NC(C)(C)C)cc3)c2n1.CCCCNc1nc(N)c2[nH]c(=O)n(Cc3ccc(C(=O)NCC(=O)OC(C)(C)C)cc3)c2n1.
What is the InChIKey of 4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]-N-[2-(tert-butylamino)-2-oxoethyl]benzamide;4-[4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]phenyl]-N-[3-[4-[5,5-dimethylhexyl(methyl)amino]butyl-methylamino]propyl]-4-oxobutanamide;4-[4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]phenyl]-N-[3-(10,10-dimethylundecylamino)propyl]-4-oxobutanamide;tert-butyl 2-[[4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]benzoyl]amino]acetate;N-[4-[2-butyl-4-(tert-butylamino)imidazo[4,5-c]quinolin-1-yl]oxybutyl]octadecanamide?
The InChIKey is SIGPFCREOLTDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H67N5O2.C37H61N9O3.C36H58N8O3.C23H32N8O3.C23H31N7O4/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-21-22-30-36(46)41-31-25-26-32-47-45-35(29-9-7-2)43-37-38(45)33-27-23-24-28-34(33)42-39(37)44-40(3,4)5;1-7-8-21-40-35-42-33(38)32-34(43-35)46(36(49)41-32)27-28-14-16-29(17-15-28)30(47)18-19-31(48)39-22-13-26-45(6)25-12-11-24-44(5)23-10-9-20-37(2,3)4;1-5-6-24-40-34-42-32(37)31-33(43-34)44(35(47)41-31)26-27-15-17-28(18-16-27)29(45)19-20-30(46)39-25-14-23-38-22-13-11-9-7-8-10-12-21-36(2,3)4;1-5-6-11-25-21-28-18(24)17-19(29-21)31(22(34)27-17)13-14-7-9-15(10-8-14)20(33)26-12-16(32)30-23(2,3)4;1-5-6-11-25-21-28-18(24)17-19(29-21)30(22(33)27-17)13-14-7-9-15(10-8-14)20(32)26-12-16(31)34-23(2,3)4/h23-24,27-28H,6-22,25-26,29-32H2,1-5H3,(H,41,46)(H,42,44);14-17H,7-13,18-27H2,1-6H3,(H,39,48)(H,41,49)(H3,38,40,42,43);15-18,38H,5-14,19-26H2,1-4H3,(H,39,46)(H,41,47)(H3,37,40,42,43);7-10H,5-6,11-13H2,1-4H3,(H,26,33)(H,27,34)(H,30,32)(H3,24,25,28,29);7-10H,5-6,11-13H2,1-4H3,(H,26,32)(H,27,33)(H3,24,25,28,29).
What are the key properties of 4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]-N-[2-(tert-butylamino)-2-oxoethyl]benzamide;4-[4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]phenyl]-N-[3-[4-[5,5-dimethylhexyl(methyl)amino]butyl-methylamino]propyl]-4-oxobutanamide;4-[4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]phenyl]-N-[3-(10,10-dimethylundecylamino)propyl]-4-oxobutanamide;tert-butyl 2-[[4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]benzoyl]amino]acetate;N-[4-[2-butyl-4-(tert-butylamino)imidazo[4,5-c]quinolin-1-yl]oxybutyl]octadecanamide?
4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]-N-[2-(tert-butylamino)-2-oxoethyl]benzamide;4-[4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]phenyl]-N-[3-[4-[5,5-dimethylhexyl(methyl)amino]butyl-methylamino]propyl]-4-oxobutanamide;4-[4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]phenyl]-N-[3-(10,10-dimethylundecylamino)propyl]-4-oxobutanamide;tert-butyl 2-[[4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]benzoyl]amino]acetate;N-[4-[2-butyl-4-(tert-butylamino)imidazo[4,5-c]quinolin-1-yl]oxybutyl]octadecanamide has a molecular weight of 2918.98 g/mol, XLogP of 25.84, 90 rotatable bonds, 20 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]-N-[2-(tert-butylamino)-2-oxoethyl]benzamide;4-[4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]phenyl]-N-[3-[4-[5,5-dimethylhexyl(methyl)amino]butyl-methylamino]propyl]-4-oxobutanamide;4-[4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]phenyl]-N-[3-(10,10-dimethylundecylamino)propyl]-4-oxobutanamide;tert-butyl 2-[[4-[[6-amino-2-(butylamino)-8-oxo-7H-purin-9-yl]methyl]benzoyl]amino]acetate;N-[4-[2-butyl-4-(tert-butylamino)imidazo[4,5-c]quinolin-1-yl]oxybutyl]octadecanamide is sourced from PubChem (CID 160842959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).