(3R)-3-[(3,4-dimethylbenzoyl)amino]-3-(4-propoxyphenyl)propanoate

C21H24NO4- — CID 7044672

IUPAC(3R)-3-[(3,4-dimethylbenzoyl)amino]-3-(4-propoxyphenyl)propanoate
SMILESCCCOc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C21H25NO4/c1-4-11-26-18-9-7-16(8-10-18)19(13-20(23)24)22-21(25)17-6-5-14(2)15(3)12-17/h5-10,12,19H,4,11,13H2,1-3H3,(H,22,25)(H,23,24)/p-1/t19-/m1/s1
InChIKeyHZBPDBPQYSPRDM-LJQANCHMSA-M
MW354.43 g/mol
LogP2.70
Rot. Bonds8

About (3R)-3-[(3,4-dimethylbenzoyl)amino]-3-(4-propoxyphenyl)propanoate

(3R)-3-[(3,4-dimethylbenzoyl)amino]-3-(4-propoxyphenyl)propanoate (PubChem CID 7044672) has the molecular formula C21H24NO4- and a molecular weight of 354.43 g/mol. Its IUPAC name is (3R)-3-[(3,4-dimethylbenzoyl)amino]-3-(4-propoxyphenyl)propanoate.

Molecular Properties

Compound Name(3R)-3-[(3,4-dimethylbenzoyl)amino]-3-(4-propoxyphenyl)propanoate
PubChem CID7044672
Molecular FormulaC21H24NO4-
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC Name(3R)-3-[(3,4-dimethylbenzoyl)amino]-3-(4-propoxyphenyl)propanoate
SMILESCCCOc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C21H25NO4/c1-4-11-26-18-9-7-16(8-10-18)19(13-20(23)24)22-21(25)17-6-5-14(2)15(3)12-17/h5-10,12,19H,4,11,13H2,1-3H3,(H,22,25)(H,23,24)/p-1/t19-/m1/s1
InChIKeyHZBPDBPQYSPRDM-LJQANCHMSA-M
XLogP2.70
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-[(4-methyl-3-nitrobenzoyl)amino]-3-(4-propoxyphenyl)propanoate
CID 7298152
(3S)-3-[(3-nitrobenzoyl)amino]-3-(4-propoxyphenyl)propanoate
CID 7044662
3-[(3,4-dimethoxybenzoyl)amino]-3-(4-propoxyphenyl)propanoic acid
CID 4190293
(3S)-3-[(4-methylbenzoyl)amino]-3-(4-propoxyphenyl)propanoic acid
CID 7044731
(3S)-3-[(2,5-dichlorobenzoyl)amino]-3-(4-propoxyphenyl)propanoate
CID 7044686
(3S)-3-[(3,4-dimethoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 6988874
(3S)-3-(4-ethoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoate
CID 6925782
3-(4-propoxyphenyl)-3-(thiophene-2-carbonylamino)propanoate
CID 4182215
(3S)-3-benzamido-3-(4-propoxyphenyl)propanoic acid
CID 7044624
3-[(4-methoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 3455324
3-(4-propoxyphenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]propanoic acid
CID 4182201
(3R)-3-[(2-chloro-5-nitrobenzoyl)amino]-3-(4-propoxyphenyl)propanoate
CID 7300624

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(3,4-dimethylbenzoyl)amino]-3-(4-propoxyphenyl)propanoate?
The IUPAC name of (3R)-3-[(3,4-dimethylbenzoyl)amino]-3-(4-propoxyphenyl)propanoate (CID 7044672) is (3R)-3-[(3,4-dimethylbenzoyl)amino]-3-(4-propoxyphenyl)propanoate.
What is the SMILES notation for (3R)-3-[(3,4-dimethylbenzoyl)amino]-3-(4-propoxyphenyl)propanoate?
The canonical SMILES for (3R)-3-[(3,4-dimethylbenzoyl)amino]-3-(4-propoxyphenyl)propanoate is CCCOc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(C)c(C)c2)cc1.
What is the InChIKey of (3R)-3-[(3,4-dimethylbenzoyl)amino]-3-(4-propoxyphenyl)propanoate?
The InChIKey is HZBPDBPQYSPRDM-LJQANCHMSA-M. The full InChI is InChI=1S/C21H25NO4/c1-4-11-26-18-9-7-16(8-10-18)19(13-20(23)24)22-21(25)17-6-5-14(2)15(3)12-17/h5-10,12,19H,4,11,13H2,1-3H3,(H,22,25)(H,23,24)/p-1/t19-/m1/s1.
What are the key properties of (3R)-3-[(3,4-dimethylbenzoyl)amino]-3-(4-propoxyphenyl)propanoate?
(3R)-3-[(3,4-dimethylbenzoyl)amino]-3-(4-propoxyphenyl)propanoate has a molecular weight of 354.43 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(3,4-dimethylbenzoyl)amino]-3-(4-propoxyphenyl)propanoate is sourced from PubChem (CID 7044672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).