methyl 3-[[2-[(3,4-diethoxybenzoyl)amino]acetyl]amino]-3-(3,4-dimethoxyphenyl)propanoate

C25H32N2O8 — CID 55440713

IUPACmethyl 3-[[2-[(3,4-diethoxybenzoyl)amino]acetyl]amino]-3-(3,4-dimethoxyphenyl)propanoate
SMILESCCOc1ccc(C(=O)NCC(=O)NC(CC(=O)OC)c2ccc(OC)c(OC)c2)cc1OCC
InChIInChI=1S/C25H32N2O8/c1-6-34-20-11-9-17(13-22(20)35-7-2)25(30)26-15-23(28)27-18(14-24(29)33-5)16-8-10-19(31-3)21(12-16)32-4/h8-13,18H,6-7,14-15H2,1-5H3,(H,26,30)(H,27,28)
InChIKeyCVHQAAOMWQHOAE-UHFFFAOYSA-N
MW488.54 g/mol
LogP2.65
Rot. Bonds13

About methyl 3-[[2-[(3,4-diethoxybenzoyl)amino]acetyl]amino]-3-(3,4-dimethoxyphenyl)propanoate

methyl 3-[[2-[(3,4-diethoxybenzoyl)amino]acetyl]amino]-3-(3,4-dimethoxyphenyl)propanoate (PubChem CID 55440713) has the molecular formula C25H32N2O8 and a molecular weight of 488.54 g/mol. Its IUPAC name is methyl 3-[[2-[(3,4-diethoxybenzoyl)amino]acetyl]amino]-3-(3,4-dimethoxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-[[2-[(3,4-diethoxybenzoyl)amino]acetyl]amino]-3-(3,4-dimethoxyphenyl)propanoate
PubChem CID55440713
Molecular FormulaC25H32N2O8
Molecular Weight488.54 g/mol
Exact Mass488.22
IUPAC Namemethyl 3-[[2-[(3,4-diethoxybenzoyl)amino]acetyl]amino]-3-(3,4-dimethoxyphenyl)propanoate
SMILESCCOc1ccc(C(=O)NCC(=O)NC(CC(=O)OC)c2ccc(OC)c(OC)c2)cc1OCC
InChIInChI=1S/C25H32N2O8/c1-6-34-20-11-9-17(13-22(20)35-7-2)25(30)26-15-23(28)27-18(14-24(29)33-5)16-8-10-19(31-3)21(12-16)32-4/h8-13,18H,6-7,14-15H2,1-5H3,(H,26,30)(H,27,28)
InChIKeyCVHQAAOMWQHOAE-UHFFFAOYSA-N
XLogP2.65
TPSA121.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.54
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 3-[[2-[(3,4-dimethoxybenzoyl)amino]acetyl]amino]-3-(3,4-dimethoxyphenyl)propanoate
CID 55440930
methyl 3-(3,4-dimethoxyphenyl)-3-[[2-[(4-methylbenzoyl)amino]acetyl]amino]propanoate
CID 17439389
methyl (3S)-3-(3,4-dimethoxyphenyl)-3-[[2-[(4-methylbenzoyl)amino]acetyl]amino]propanoate
CID 40812712
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3,4-diethoxybenzamide
CID 90613391
methyl 3-[4-[(4-chlorobenzoyl)amino]butanoylamino]-3-(3,4-dimethoxyphenyl)propanoate
CID 46657480
ethyl 2-[(3-ethoxy-4-methoxybenzoyl)amino]acetate
CID 47257630
methyl 3-(4-aminopentanoylamino)-3-(3,4-dimethoxyphenyl)propanoate
CID 120559435
methyl (3R)-3-(3,4-dimethoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoate
CID 40856382
methyl 3-(3,4-dimethoxyphenyl)-3-[(6-methoxypyridine-3-carbonyl)amino]propanoate
CID 17439253
(3S)-3-(4-ethoxy-3-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanoic acid
CID 1271468
methyl 3-[[4-(aminomethyl)benzoyl]amino]-3-(3,4-dimethoxyphenyl)propanoate
CID 119274269
3-acetamido-3-(4-ethoxy-3-methoxyphenyl)propanoic acid
CID 5121115

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[(3,4-diethoxybenzoyl)amino]acetyl]amino]-3-(3,4-dimethoxyphenyl)propanoate?
The IUPAC name of methyl 3-[[2-[(3,4-diethoxybenzoyl)amino]acetyl]amino]-3-(3,4-dimethoxyphenyl)propanoate (CID 55440713) is methyl 3-[[2-[(3,4-diethoxybenzoyl)amino]acetyl]amino]-3-(3,4-dimethoxyphenyl)propanoate.
What is the SMILES notation for methyl 3-[[2-[(3,4-diethoxybenzoyl)amino]acetyl]amino]-3-(3,4-dimethoxyphenyl)propanoate?
The canonical SMILES for methyl 3-[[2-[(3,4-diethoxybenzoyl)amino]acetyl]amino]-3-(3,4-dimethoxyphenyl)propanoate is CCOc1ccc(C(=O)NCC(=O)NC(CC(=O)OC)c2ccc(OC)c(OC)c2)cc1OCC.
What is the InChIKey of methyl 3-[[2-[(3,4-diethoxybenzoyl)amino]acetyl]amino]-3-(3,4-dimethoxyphenyl)propanoate?
The InChIKey is CVHQAAOMWQHOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O8/c1-6-34-20-11-9-17(13-22(20)35-7-2)25(30)26-15-23(28)27-18(14-24(29)33-5)16-8-10-19(31-3)21(12-16)32-4/h8-13,18H,6-7,14-15H2,1-5H3,(H,26,30)(H,27,28).
What are the key properties of methyl 3-[[2-[(3,4-diethoxybenzoyl)amino]acetyl]amino]-3-(3,4-dimethoxyphenyl)propanoate?
methyl 3-[[2-[(3,4-diethoxybenzoyl)amino]acetyl]amino]-3-(3,4-dimethoxyphenyl)propanoate has a molecular weight of 488.54 g/mol, XLogP of 2.65, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[(3,4-diethoxybenzoyl)amino]acetyl]amino]-3-(3,4-dimethoxyphenyl)propanoate is sourced from PubChem (CID 55440713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).