(3S)-3-[(3,4-dimethoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate

C19H20NO6- — CID 6988874

IUPAC(3S)-3-[(3,4-dimethoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate
SMILESCOc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C19H21NO6/c1-24-14-7-4-12(5-8-14)15(11-18(21)22)20-19(23)13-6-9-16(25-2)17(10-13)26-3/h4-10,15H,11H2,1-3H3,(H,20,23)(H,21,22)/p-1/t15-/m0/s1
InChIKeyGTAHVMZWPGIQBI-HNNXBMFYSA-M
MW358.37 g/mol
LogP1.32
Rot. Bonds8

About (3S)-3-[(3,4-dimethoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate

(3S)-3-[(3,4-dimethoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate (PubChem CID 6988874) has the molecular formula C19H20NO6- and a molecular weight of 358.37 g/mol. Its IUPAC name is (3S)-3-[(3,4-dimethoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate.

Molecular Properties

Compound Name(3S)-3-[(3,4-dimethoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate
PubChem CID6988874
Molecular FormulaC19H20NO6-
Molecular Weight358.37 g/mol
Exact Mass358.13
IUPAC Name(3S)-3-[(3,4-dimethoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate
SMILESCOc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C19H21NO6/c1-24-14-7-4-12(5-8-14)15(11-18(21)22)20-19(23)13-6-9-16(25-2)17(10-13)26-3/h4-10,15H,11H2,1-3H3,(H,20,23)(H,21,22)/p-1/t15-/m0/s1
InChIKeyGTAHVMZWPGIQBI-HNNXBMFYSA-M
XLogP1.32
TPSA96.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-3-[(3-bromo-4-methoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 7291192
3-[(4-methoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 3455324
(3S)-3-(4-methoxyphenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]propanoate
CID 7291138
(3R)-3-[(3,4-dichlorobenzoyl)amino]-3-(3,4-dimethoxyphenyl)propanoate
CID 7300191
3-[(3,4-dimethoxybenzoyl)amino]-3-(4-propoxyphenyl)propanoic acid
CID 4190293
N-[1-(3,4-dimethoxyphenyl)propyl]-4-methoxybenzamide
CID 132651370
3-[(3-bromo-4-methoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoic acid
CID 4020032
3,4-dimethoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 831207
3-[(3-amino-4-methoxybenzoyl)amino]-3-phenylpropanoate
CID 18322927
3-methoxy-N-[1-(4-methoxyphenyl)propyl]-4-prop-2-enoxybenzamide
CID 24547727
(3R)-3-[(3,4-dimethylbenzoyl)amino]-3-(4-propoxyphenyl)propanoate
CID 7044672
(3S)-3-(4-chlorophenyl)-3-[(3-methoxybenzoyl)amino]propanoate
CID 6926091

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(3,4-dimethoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate?
The IUPAC name of (3S)-3-[(3,4-dimethoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate (CID 6988874) is (3S)-3-[(3,4-dimethoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate.
What is the SMILES notation for (3S)-3-[(3,4-dimethoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate?
The canonical SMILES for (3S)-3-[(3,4-dimethoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate is COc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of (3S)-3-[(3,4-dimethoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate?
The InChIKey is GTAHVMZWPGIQBI-HNNXBMFYSA-M. The full InChI is InChI=1S/C19H21NO6/c1-24-14-7-4-12(5-8-14)15(11-18(21)22)20-19(23)13-6-9-16(25-2)17(10-13)26-3/h4-10,15H,11H2,1-3H3,(H,20,23)(H,21,22)/p-1/t15-/m0/s1.
What are the key properties of (3S)-3-[(3,4-dimethoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate?
(3S)-3-[(3,4-dimethoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate has a molecular weight of 358.37 g/mol, XLogP of 1.32, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(3,4-dimethoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate is sourced from PubChem (CID 6988874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).