N-(3,5-dihydroxy-4-phenylphenyl)-4-[[2,3-dimethyl-1-[5-[3-methylbutyl(propyl)amino]pentyl]indol-5-yl]methyl]benzamide

C43H53N3O3 — CID 145192375

IUPACN-(3,5-dihydroxy-4-phenylphenyl)-4-[[2,3-dimethyl-1-[5-[3-methylbutyl(propyl)amino]pentyl]indol-5-yl]methyl]benzamide
SMILESCCCN(CCCCCn1c(C)c(C)c2cc(Cc3ccc(C(=O)Nc4cc(O)c(-c5ccccc5)c(O)c4)cc3)ccc21)CCC(C)C
InChIInChI=1S/C43H53N3O3/c1-6-22-45(25-21-30(2)3)23-11-8-12-24-46-32(5)31(4)38-27-34(17-20-39(38)46)26-33-15-18-36(19-16-33)43(49)44-37-28-40(47)42(41(48)29-37)35-13-9-7-10-14-35/h7,9-10,13-20,27-30,47-48H,6,8,11-12,21-26H2,1-5H3,(H,44,49)
InChIKeyFPEIXUXKLUFALN-UHFFFAOYSA-N
MW659.92 g/mol
LogP10.11
Rot. Bonds16

About N-(3,5-dihydroxy-4-phenylphenyl)-4-[[2,3-dimethyl-1-[5-[3-methylbutyl(propyl)amino]pentyl]indol-5-yl]methyl]benzamide

N-(3,5-dihydroxy-4-phenylphenyl)-4-[[2,3-dimethyl-1-[5-[3-methylbutyl(propyl)amino]pentyl]indol-5-yl]methyl]benzamide (PubChem CID 145192375) has the molecular formula C43H53N3O3 and a molecular weight of 659.92 g/mol. Its IUPAC name is N-(3,5-dihydroxy-4-phenylphenyl)-4-[[2,3-dimethyl-1-[5-[3-methylbutyl(propyl)amino]pentyl]indol-5-yl]methyl]benzamide.

Molecular Properties

Compound NameN-(3,5-dihydroxy-4-phenylphenyl)-4-[[2,3-dimethyl-1-[5-[3-methylbutyl(propyl)amino]pentyl]indol-5-yl]methyl]benzamide
PubChem CID145192375
Molecular FormulaC43H53N3O3
Molecular Weight659.92 g/mol
Exact Mass659.41
IUPAC NameN-(3,5-dihydroxy-4-phenylphenyl)-4-[[2,3-dimethyl-1-[5-[3-methylbutyl(propyl)amino]pentyl]indol-5-yl]methyl]benzamide
SMILESCCCN(CCCCCn1c(C)c(C)c2cc(Cc3ccc(C(=O)Nc4cc(O)c(-c5ccccc5)c(O)c4)cc3)ccc21)CCC(C)C
InChIInChI=1S/C43H53N3O3/c1-6-22-45(25-21-30(2)3)23-11-8-12-24-46-32(5)31(4)38-27-34(17-20-39(38)46)26-33-15-18-36(19-16-33)43(49)44-37-28-40(47)42(41(48)29-37)35-13-9-7-10-14-35/h7,9-10,13-20,27-30,47-48H,6,8,11-12,21-26H2,1-5H3,(H,44,49)
InChIKeyFPEIXUXKLUFALN-UHFFFAOYSA-N
XLogP10.11
TPSA77.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.92
LogP ≤ 510.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3,5-dihydroxy-4-phenylphenyl)-4-[[2,3-dimethyl-1-[5-[3-methylbutyl(propyl)amino]pentyl]indol-5-yl]methyl]benzamide 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

N-(3,5-dihydroxy-4-pyridin-4-ylphenyl)-3-[[2,3-dimethyl-1-[2-methyl-3-[3-methylpentyl(propyl)amino]propyl]indol-5-yl]methyl]benzamide;ethane
CID 145192361
N-(3,5-dihydroxy-4-pyridin-4-ylphenyl)-4-[[2,3-dimethyl-1-[5-(4-methylpiperazin-1-yl)pentyl]indol-5-yl]methyl]benzamide
CID 137163038
3-[[2,3-dimethyl-1-[2-methyl-3-[3-methylpentyl(propyl)amino]propyl]indol-5-yl]amino]-N-[4-(4-fluorophenyl)-3,5-dihydroxyphenyl]benzamide;ethane
CID 145192480
3-[2,3-dimethyl-1-[3-[3-methylpentyl(propyl)amino]propyl]indol-5-yl]oxy-N-[4-[ethenyl-[(Z)-pent-1-enyl]amino]-3,5-dihydroxyphenyl]benzamide
CID 145192390
N-[3-cyclobutyl-5-hydroxy-4-[(2Z,4E,6E)-nona-2,4,6-trien-4-yl]phenyl]-4-[[2,3-dimethyl-1-(5-methylheptyl)indol-5-yl]methyl]benzamide
CID 145192554
3-[[1-[3-(dimethylamino)propyl]-2,3-dimethylindol-5-yl]amino]-N-phenylbenzamide
CID 129206273
1-benzyl-2,3-dimethyl-N-(3-methylbutyl)indole-5-carboxamide
CID 20940136
4-[(2,3-dimethyl-1H-indol-5-yl)methyl]-N-phenylbenzamide
CID 129206265
1-ethyl-2,3-dimethyl-N-(4-phenylbutan-2-yl)indole-5-carboxamide
CID 20940085
1-(5-hydroxypentyl)-2,3-dimethylindole-5-carboxylic acid
CID 62229225
carbon dioxide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide
CID 160630529
1-benzyl-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-2,3-dimethylindole-5-carboxamide
CID 58866413

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dihydroxy-4-phenylphenyl)-4-[[2,3-dimethyl-1-[5-[3-methylbutyl(propyl)amino]pentyl]indol-5-yl]methyl]benzamide?
The IUPAC name of N-(3,5-dihydroxy-4-phenylphenyl)-4-[[2,3-dimethyl-1-[5-[3-methylbutyl(propyl)amino]pentyl]indol-5-yl]methyl]benzamide (CID 145192375) is N-(3,5-dihydroxy-4-phenylphenyl)-4-[[2,3-dimethyl-1-[5-[3-methylbutyl(propyl)amino]pentyl]indol-5-yl]methyl]benzamide.
What is the SMILES notation for N-(3,5-dihydroxy-4-phenylphenyl)-4-[[2,3-dimethyl-1-[5-[3-methylbutyl(propyl)amino]pentyl]indol-5-yl]methyl]benzamide?
The canonical SMILES for N-(3,5-dihydroxy-4-phenylphenyl)-4-[[2,3-dimethyl-1-[5-[3-methylbutyl(propyl)amino]pentyl]indol-5-yl]methyl]benzamide is CCCN(CCCCCn1c(C)c(C)c2cc(Cc3ccc(C(=O)Nc4cc(O)c(-c5ccccc5)c(O)c4)cc3)ccc21)CCC(C)C.
What is the InChIKey of N-(3,5-dihydroxy-4-phenylphenyl)-4-[[2,3-dimethyl-1-[5-[3-methylbutyl(propyl)amino]pentyl]indol-5-yl]methyl]benzamide?
The InChIKey is FPEIXUXKLUFALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H53N3O3/c1-6-22-45(25-21-30(2)3)23-11-8-12-24-46-32(5)31(4)38-27-34(17-20-39(38)46)26-33-15-18-36(19-16-33)43(49)44-37-28-40(47)42(41(48)29-37)35-13-9-7-10-14-35/h7,9-10,13-20,27-30,47-48H,6,8,11-12,21-26H2,1-5H3,(H,44,49).
What are the key properties of N-(3,5-dihydroxy-4-phenylphenyl)-4-[[2,3-dimethyl-1-[5-[3-methylbutyl(propyl)amino]pentyl]indol-5-yl]methyl]benzamide?
N-(3,5-dihydroxy-4-phenylphenyl)-4-[[2,3-dimethyl-1-[5-[3-methylbutyl(propyl)amino]pentyl]indol-5-yl]methyl]benzamide has a molecular weight of 659.92 g/mol, XLogP of 10.11, 16 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dihydroxy-4-phenylphenyl)-4-[[2,3-dimethyl-1-[5-[3-methylbutyl(propyl)amino]pentyl]indol-5-yl]methyl]benzamide is sourced from PubChem (CID 145192375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).