1-N,3-N-bis[1,5-bis(2-methoxyethylamino)-1,5-dioxopentan-2-yl]-5-methylbenzene-1,3-dicarboxamide;1-N-[2-[3-[bis(5-methoxy-2-oxopentyl)amino]-3-oxopropoxy]ethyl]-3-N-[2-[3-[[2-(2-methoxyethylamino)-2-oxoethyl]-(5-methoxy-2-oxopentyl)amino]-3-oxopropoxy]ethyl]-5-methylbenzene-1,3-dicarboxamide

C73H117N11O24 — CID 162109922

IUPAC1-N,3-N-bis[1,5-bis(2-methoxyethylamino)-1,5-dioxopentan-2-yl]-5-methylbenzene-1,3-dicarboxamide;1-N-[2-[3-[bis(5-methoxy-2-oxopentyl)amino]-3-oxopropoxy]ethyl]-3-N-[2-[3-[[2-(2-methoxyethylamino)-2-oxoethyl]-(5-methoxy-2-oxopentyl)amino]-3-oxopropoxy]ethyl]-5-methylbenzene-1,3-dicarboxamide
SMILESCOCCCC(=O)CN(CC(=O)CCCOC)C(=O)CCOCCNC(=O)c1cc(C)cc(C(=O)NCCOCCC(=O)N(CC(=O)CCCOC)CC(=O)NCCOC)c1.COCCNC(=O)CCC(NC(=O)c1cc(C)cc(C(=O)NC(CCC(=O)NCCOC)C(=O)NCCOC)c1)C(=O)NCCOC
InChIInChI=1S/C42H67N5O14.C31H50N6O10/c1-32-25-33(41(54)44-15-23-60-20-12-39(52)46(28-35(48)9-6-17-56-2)29-36(49)10-7-18-57-3)27-34(26-32)42(55)45-16-24-61-21-13-40(53)47(30-37(50)11-8-19-58-4)31-38(51)43-14-22-59-5;1-21-18-22(28(40)36-24(30(42)34-12-16-46-4)6-8-26(38)32-10-14-44-2)20-23(19-21)29(41)37-25(31(43)35-13-17-47-5)7-9-27(39)33-11-15-45-3/h25-27H,6-24,28-31H2,1-5H3,(H,43,51)(H,44,54)(H,45,55);18-20,24-25H,6-17H2,1-5H3,(H,32,38)(H,33,39)(H,34,42)(H,35,43)(H,36,40)(H,37,41)
InChIKeyZFZZFAAWVGPRRM-UHFFFAOYSA-N
MW1532.79 g/mol
LogP-0.52
Rot. Bonds61

About 1-N,3-N-bis[1,5-bis(2-methoxyethylamino)-1,5-dioxopentan-2-yl]-5-methylbenzene-1,3-dicarboxamide;1-N-[2-[3-[bis(5-methoxy-2-oxopentyl)amino]-3-oxopropoxy]ethyl]-3-N-[2-[3-[[2-(2-methoxyethylamino)-2-oxoethyl]-(5-methoxy-2-oxopentyl)amino]-3-oxopropoxy]ethyl]-5-methylbenzene-1,3-dicarboxamide

1-N,3-N-bis[1,5-bis(2-methoxyethylamino)-1,5-dioxopentan-2-yl]-5-methylbenzene-1,3-dicarboxamide;1-N-[2-[3-[bis(5-methoxy-2-oxopentyl)amino]-3-oxopropoxy]ethyl]-3-N-[2-[3-[[2-(2-methoxyethylamino)-2-oxoethyl]-(5-methoxy-2-oxopentyl)amino]-3-oxopropoxy]ethyl]-5-methylbenzene-1,3-dicarboxamide (PubChem CID 162109922) has the molecular formula C73H117N11O24 and a molecular weight of 1532.79 g/mol. Its IUPAC name is 1-N,3-N-bis[1,5-bis(2-methoxyethylamino)-1,5-dioxopentan-2-yl]-5-methylbenzene-1,3-dicarboxamide;1-N-[2-[3-[bis(5-methoxy-2-oxopentyl)amino]-3-oxopropoxy]ethyl]-3-N-[2-[3-[[2-(2-methoxyethylamino)-2-oxoethyl]-(5-methoxy-2-oxopentyl)amino]-3-oxopropoxy]ethyl]-5-methylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,3-N-bis[1,5-bis(2-methoxyethylamino)-1,5-dioxopentan-2-yl]-5-methylbenzene-1,3-dicarboxamide;1-N-[2-[3-[bis(5-methoxy-2-oxopentyl)amino]-3-oxopropoxy]ethyl]-3-N-[2-[3-[[2-(2-methoxyethylamino)-2-oxoethyl]-(5-methoxy-2-oxopentyl)amino]-3-oxopropoxy]ethyl]-5-methylbenzene-1,3-dicarboxamide
PubChem CID162109922
Molecular FormulaC73H117N11O24
Molecular Weight1532.79 g/mol
Exact Mass1531.83
IUPAC Name1-N,3-N-bis[1,5-bis(2-methoxyethylamino)-1,5-dioxopentan-2-yl]-5-methylbenzene-1,3-dicarboxamide;1-N-[2-[3-[bis(5-methoxy-2-oxopentyl)amino]-3-oxopropoxy]ethyl]-3-N-[2-[3-[[2-(2-methoxyethylamino)-2-oxoethyl]-(5-methoxy-2-oxopentyl)amino]-3-oxopropoxy]ethyl]-5-methylbenzene-1,3-dicarboxamide
SMILESCOCCCC(=O)CN(CC(=O)CCCOC)C(=O)CCOCCNC(=O)c1cc(C)cc(C(=O)NCCOCCC(=O)N(CC(=O)CCCOC)CC(=O)NCCOC)c1.COCCNC(=O)CCC(NC(=O)c1cc(C)cc(C(=O)NC(CCC(=O)NCCOC)C(=O)NCCOC)c1)C(=O)NCCOC
InChIInChI=1S/C42H67N5O14.C31H50N6O10/c1-32-25-33(41(54)44-15-23-60-20-12-39(52)46(28-35(48)9-6-17-56-2)29-36(49)10-7-18-57-3)27-34(26-32)42(55)45-16-24-61-21-13-40(53)47(30-37(50)11-8-19-58-4)31-38(51)43-14-22-59-5;1-21-18-22(28(40)36-24(30(42)34-12-16-46-4)6-8-26(38)32-10-14-44-2)20-23(19-21)29(41)37-25(31(43)35-13-17-47-5)7-9-27(39)33-11-15-45-3/h25-27H,6-24,28-31H2,1-5H3,(H,43,51)(H,44,54)(H,45,55);18-20,24-25H,6-17H2,1-5H3,(H,32,38)(H,33,39)(H,34,42)(H,35,43)(H,36,40)(H,37,41)
InChIKeyZFZZFAAWVGPRRM-UHFFFAOYSA-N
XLogP-0.52
TPSA446.03 Ų
H-Bond Donors9
H-Bond Acceptors24
Rotatable Bonds61
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001532.79
LogP ≤ 5-0.52
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 1-N,3-N-bis[1,5-bis(2-methoxyethylamino)-1,5-dioxopentan-2-yl]-5-methylbenzene-1,3-dicarboxamide;1-N-[2-[3-[bis(5-methoxy-2-oxopentyl)amino]-3-oxopropoxy]ethyl]-3-N-[2-[3-[[2-(2-methoxyethylamino)-2-oxoethyl]-(5-methoxy-2-oxopentyl)amino]-3-oxopropoxy]ethyl]-5-methylbenzene-1,3-dicarboxamide with MolForge

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Related Compounds

1-N,3-N-bis[1,5-bis(6-methoxyhexylamino)-1,5-dioxopentan-2-yl]-5-ethylbenzene-1,3-dicarboxamide
CID 158781560
N',N'-bis[2-[2-[2-[2-[(2-iodoacetyl)amino]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-N-(2-methoxyethyl)butanediamide
CID 21059341
(2S)-2-(hexanoylamino)-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-N'-[4-(propanoylamino)butyl]pentanediamide
CID 174198375
3-bromo-N-[2-(2-methoxyethoxy)ethyl]-5-methylbenzamide
CID 104852583
2-[(3,5-dimethylbenzoyl)amino]-5-methoxypentanoic acid
CID 81076564
5-ethyl-1-N,1-N,3-N,3-N-tetrakis[2-[3-(5-methoxypentanoylamino)propylamino]-2-oxoethyl]benzene-1,3-dicarboxamide;5-ethyl-1-N,3-N,3-N-tris[2-[2-(2-methoxyethoxy)ethylamino]-2-oxoethyl]-1-N-[2-(5-methoxypentylamino)-2-oxoethyl]benzene-1,3-dicarboxamide
CID 159267540
3-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-5-methylbenzamide
CID 113460827
dimethyl (2S)-2-[[(2S)-6-[3-[2-[2-[2-[2-[[2-[[2-[2-[2-[2-[2-[3-[[(5S)-5-[[(2S)-1,5-dimethoxy-1,5-dioxopentan-2-yl]carbamoylamino]-6-methoxy-6-oxohexyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]-[3-[2-[2-[2-[2-[[6-(2-propan-2-ylidenehydrazinyl)pyridine-3-carbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-1-methoxy-1-oxohexan-2-yl]carbamoylamino]pentanedioate
CID 122542025
N-(2-methoxyethyl)-3-(3-methylbutoxy)propanamide
CID 166039715
N-[(2S)-1-[2-(2-methoxyethoxy)ethylamino]-6-methyl-1,5-dioxoheptan-2-yl]octadecanamide
CID 177289167
5-[2-(6-azidohexanoylamino)ethoxy]-3-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[bis[2-oxo-2-(propylamino)ethyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-1-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-oxo-3-[[2-oxo-2-(propylamino)ethyl]-[2-(propylamino)ethyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]benzene-1,3-dicarboxamide
CID 158569003
3-[2-[[6-[2-[[6-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]-2-[4-[3-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]propanoylamino]butyl]-4-oxohexanoyl]amino]ethoxy]-2-[4-[3-[2-[[10-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]-2-[3-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]propanoylamino]-8-oxodecanoyl]amino]ethoxy]propanoylamino]butyl]-4-oxohexanoyl]amino]ethoxy]propanoic acid
CID 158396655

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis[1,5-bis(2-methoxyethylamino)-1,5-dioxopentan-2-yl]-5-methylbenzene-1,3-dicarboxamide;1-N-[2-[3-[bis(5-methoxy-2-oxopentyl)amino]-3-oxopropoxy]ethyl]-3-N-[2-[3-[[2-(2-methoxyethylamino)-2-oxoethyl]-(5-methoxy-2-oxopentyl)amino]-3-oxopropoxy]ethyl]-5-methylbenzene-1,3-dicarboxamide?
The IUPAC name of 1-N,3-N-bis[1,5-bis(2-methoxyethylamino)-1,5-dioxopentan-2-yl]-5-methylbenzene-1,3-dicarboxamide;1-N-[2-[3-[bis(5-methoxy-2-oxopentyl)amino]-3-oxopropoxy]ethyl]-3-N-[2-[3-[[2-(2-methoxyethylamino)-2-oxoethyl]-(5-methoxy-2-oxopentyl)amino]-3-oxopropoxy]ethyl]-5-methylbenzene-1,3-dicarboxamide (CID 162109922) is 1-N,3-N-bis[1,5-bis(2-methoxyethylamino)-1,5-dioxopentan-2-yl]-5-methylbenzene-1,3-dicarboxamide;1-N-[2-[3-[bis(5-methoxy-2-oxopentyl)amino]-3-oxopropoxy]ethyl]-3-N-[2-[3-[[2-(2-methoxyethylamino)-2-oxoethyl]-(5-methoxy-2-oxopentyl)amino]-3-oxopropoxy]ethyl]-5-methylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N,3-N-bis[1,5-bis(2-methoxyethylamino)-1,5-dioxopentan-2-yl]-5-methylbenzene-1,3-dicarboxamide;1-N-[2-[3-[bis(5-methoxy-2-oxopentyl)amino]-3-oxopropoxy]ethyl]-3-N-[2-[3-[[2-(2-methoxyethylamino)-2-oxoethyl]-(5-methoxy-2-oxopentyl)amino]-3-oxopropoxy]ethyl]-5-methylbenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N,3-N-bis[1,5-bis(2-methoxyethylamino)-1,5-dioxopentan-2-yl]-5-methylbenzene-1,3-dicarboxamide;1-N-[2-[3-[bis(5-methoxy-2-oxopentyl)amino]-3-oxopropoxy]ethyl]-3-N-[2-[3-[[2-(2-methoxyethylamino)-2-oxoethyl]-(5-methoxy-2-oxopentyl)amino]-3-oxopropoxy]ethyl]-5-methylbenzene-1,3-dicarboxamide is COCCCC(=O)CN(CC(=O)CCCOC)C(=O)CCOCCNC(=O)c1cc(C)cc(C(=O)NCCOCCC(=O)N(CC(=O)CCCOC)CC(=O)NCCOC)c1.COCCNC(=O)CCC(NC(=O)c1cc(C)cc(C(=O)NC(CCC(=O)NCCOC)C(=O)NCCOC)c1)C(=O)NCCOC.
What is the InChIKey of 1-N,3-N-bis[1,5-bis(2-methoxyethylamino)-1,5-dioxopentan-2-yl]-5-methylbenzene-1,3-dicarboxamide;1-N-[2-[3-[bis(5-methoxy-2-oxopentyl)amino]-3-oxopropoxy]ethyl]-3-N-[2-[3-[[2-(2-methoxyethylamino)-2-oxoethyl]-(5-methoxy-2-oxopentyl)amino]-3-oxopropoxy]ethyl]-5-methylbenzene-1,3-dicarboxamide?
The InChIKey is ZFZZFAAWVGPRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H67N5O14.C31H50N6O10/c1-32-25-33(41(54)44-15-23-60-20-12-39(52)46(28-35(48)9-6-17-56-2)29-36(49)10-7-18-57-3)27-34(26-32)42(55)45-16-24-61-21-13-40(53)47(30-37(50)11-8-19-58-4)31-38(51)43-14-22-59-5;1-21-18-22(28(40)36-24(30(42)34-12-16-46-4)6-8-26(38)32-10-14-44-2)20-23(19-21)29(41)37-25(31(43)35-13-17-47-5)7-9-27(39)33-11-15-45-3/h25-27H,6-24,28-31H2,1-5H3,(H,43,51)(H,44,54)(H,45,55);18-20,24-25H,6-17H2,1-5H3,(H,32,38)(H,33,39)(H,34,42)(H,35,43)(H,36,40)(H,37,41).
What are the key properties of 1-N,3-N-bis[1,5-bis(2-methoxyethylamino)-1,5-dioxopentan-2-yl]-5-methylbenzene-1,3-dicarboxamide;1-N-[2-[3-[bis(5-methoxy-2-oxopentyl)amino]-3-oxopropoxy]ethyl]-3-N-[2-[3-[[2-(2-methoxyethylamino)-2-oxoethyl]-(5-methoxy-2-oxopentyl)amino]-3-oxopropoxy]ethyl]-5-methylbenzene-1,3-dicarboxamide?
1-N,3-N-bis[1,5-bis(2-methoxyethylamino)-1,5-dioxopentan-2-yl]-5-methylbenzene-1,3-dicarboxamide;1-N-[2-[3-[bis(5-methoxy-2-oxopentyl)amino]-3-oxopropoxy]ethyl]-3-N-[2-[3-[[2-(2-methoxyethylamino)-2-oxoethyl]-(5-methoxy-2-oxopentyl)amino]-3-oxopropoxy]ethyl]-5-methylbenzene-1,3-dicarboxamide has a molecular weight of 1532.79 g/mol, XLogP of -0.52, 61 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis[1,5-bis(2-methoxyethylamino)-1,5-dioxopentan-2-yl]-5-methylbenzene-1,3-dicarboxamide;1-N-[2-[3-[bis(5-methoxy-2-oxopentyl)amino]-3-oxopropoxy]ethyl]-3-N-[2-[3-[[2-(2-methoxyethylamino)-2-oxoethyl]-(5-methoxy-2-oxopentyl)amino]-3-oxopropoxy]ethyl]-5-methylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 162109922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).