3-[(4-methoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate

C18H18NO5- — CID 3455324

IUPAC3-[(4-methoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate
SMILESCOc1ccc(C(=O)NC(CC(=O)[O-])c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H19NO5/c1-23-14-7-3-12(4-8-14)16(11-17(20)21)19-18(22)13-5-9-15(24-2)10-6-13/h3-10,16H,11H2,1-2H3,(H,19,22)(H,20,21)/p-1
InChIKeyQHBHFAWXYGGLGG-UHFFFAOYSA-M
MW328.34 g/mol
LogP1.31
Rot. Bonds7

About 3-[(4-methoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate

3-[(4-methoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate (PubChem CID 3455324) has the molecular formula C18H18NO5- and a molecular weight of 328.34 g/mol. Its IUPAC name is 3-[(4-methoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate.

Molecular Properties

Compound Name3-[(4-methoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate
PubChem CID3455324
Molecular FormulaC18H18NO5-
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Name3-[(4-methoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate
SMILESCOc1ccc(C(=O)NC(CC(=O)[O-])c2ccc(OC)cc2)cc1
InChIInChI=1S/C18H19NO5/c1-23-14-7-3-12(4-8-14)16(11-17(20)21)19-18(22)13-5-9-15(24-2)10-6-13/h3-10,16H,11H2,1-2H3,(H,19,22)(H,20,21)/p-1
InChIKeyQHBHFAWXYGGLGG-UHFFFAOYSA-M
XLogP1.31
TPSA87.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3-[(3,4-dimethoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 6988874
(3S)-3-(4-methoxyphenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]propanoate
CID 7291138
(3R)-3-[(3-bromo-4-methoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 7291192
4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 43904504
(3R)-3-[(4-tert-butylbenzoyl)amino]-3-(4-methoxyphenyl)propanoic acid
CID 1271474
3-(4-chlorophenyl)-3-[(4-methoxybenzoyl)amino]propanoic acid
CID 2947012
3-(4-methoxyphenyl)-3-[(4-methylsulfonylbenzoyl)amino]propanoic acid
CID 45436828
3-[(4-chlorobenzoyl)amino]-3-(4-propan-2-yloxyphenyl)propanoate
CID 5058619
(3R)-3-[(2,4-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 7291163
(3S)-3-(4-chlorophenyl)-3-[(3-methoxybenzoyl)amino]propanoate
CID 6926091
ethyl (3S)-3-[(4-tert-butylbenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 7044467
(3R)-3-(4-chlorophenyl)-3-[(4-methylbenzoyl)amino]propanoate
CID 7310731

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate?
The IUPAC name of 3-[(4-methoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate (CID 3455324) is 3-[(4-methoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate.
What is the SMILES notation for 3-[(4-methoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate?
The canonical SMILES for 3-[(4-methoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate is COc1ccc(C(=O)NC(CC(=O)[O-])c2ccc(OC)cc2)cc1.
What is the InChIKey of 3-[(4-methoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate?
The InChIKey is QHBHFAWXYGGLGG-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H19NO5/c1-23-14-7-3-12(4-8-14)16(11-17(20)21)19-18(22)13-5-9-15(24-2)10-6-13/h3-10,16H,11H2,1-2H3,(H,19,22)(H,20,21)/p-1.
What are the key properties of 3-[(4-methoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate?
3-[(4-methoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate has a molecular weight of 328.34 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate is sourced from PubChem (CID 3455324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).