(2R)-2-[(4-ethoxybenzoyl)amino]-3-phenylpropanoate

C18H18NO4- — CID 6947599

IUPAC(2R)-2-[(4-ethoxybenzoyl)amino]-3-phenylpropanoate
SMILESCCOc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cc1
InChIInChI=1S/C18H19NO4/c1-2-23-15-10-8-14(9-11-15)17(20)19-16(18(21)22)12-13-6-4-3-5-7-13/h3-11,16H,2,12H2,1H3,(H,19,20)(H,21,22)/p-1/t16-/m1/s1
InChIKeyODMWLHJPRGHTAQ-MRXNPFEDSA-M
MW312.35 g/mol
LogP1.18
Rot. Bonds7

About (2R)-2-[(4-ethoxybenzoyl)amino]-3-phenylpropanoate

(2R)-2-[(4-ethoxybenzoyl)amino]-3-phenylpropanoate (PubChem CID 6947599) has the molecular formula C18H18NO4- and a molecular weight of 312.35 g/mol. Its IUPAC name is (2R)-2-[(4-ethoxybenzoyl)amino]-3-phenylpropanoate.

Molecular Properties

Compound Name(2R)-2-[(4-ethoxybenzoyl)amino]-3-phenylpropanoate
PubChem CID6947599
Molecular FormulaC18H18NO4-
Molecular Weight312.35 g/mol
Exact Mass312.12
IUPAC Name(2R)-2-[(4-ethoxybenzoyl)amino]-3-phenylpropanoate
SMILESCCOc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cc1
InChIInChI=1S/C18H19NO4/c1-2-23-15-10-8-14(9-11-15)17(20)19-16(18(21)22)12-13-6-4-3-5-7-13/h3-11,16H,2,12H2,1H3,(H,19,20)(H,21,22)/p-1/t16-/m1/s1
InChIKeyODMWLHJPRGHTAQ-MRXNPFEDSA-M
XLogP1.18
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[(4-ethoxybenzoyl)amino]-3-phenylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-1-(4-ethoxyanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 40631438
(2S)-2-[(4-methoxybenzoyl)amino]-3-phenylpropanoic acid
CID 919358
2-benzamido-3-(4-hydroxyphenyl)propanoate
CID 53456337
(2S)-2-benzamido-3-(4-ethoxyphenyl)propanoic acid;2-propan-2-ylguanidine
CID 145154252
(2S)-2-[[2-(4-ethoxyphenoxy)acetyl]amino]-3-phenylpropanoic acid
CID 95066415
[1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-benzamidopropanoate
CID 42898251
methyl 2-[[2-(4-ethoxyphenyl)acetyl]amino]-3-phenylpropanoate
CID 110493570
1-N,4-N-bis[1-amino-1-oxo-3-[4-(2-phenylethoxy)phenyl]propan-2-yl]benzene-1,4-dicarboxamide
CID 102065474
methyl 2-[[4-[(4-phenoxyphenyl)methoxy]benzoyl]amino]-3-(4-phenylmethoxyphenyl)propanoate
CID 77216139
4-[[2-[(4-butoxybenzoyl)amino]-3-phenylpropanoyl]amino]butanoic acid
CID 3075205
(2S)-2-[(4-ethoxybenzoyl)amino]hexanoic acid
CID 107144444
(2S)-2-[[(2R)-2-benzamido-3-phenylpropanoyl]amino]propanoate
CID 2282453

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-ethoxybenzoyl)amino]-3-phenylpropanoate?
The IUPAC name of (2R)-2-[(4-ethoxybenzoyl)amino]-3-phenylpropanoate (CID 6947599) is (2R)-2-[(4-ethoxybenzoyl)amino]-3-phenylpropanoate.
What is the SMILES notation for (2R)-2-[(4-ethoxybenzoyl)amino]-3-phenylpropanoate?
The canonical SMILES for (2R)-2-[(4-ethoxybenzoyl)amino]-3-phenylpropanoate is CCOc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cc1.
What is the InChIKey of (2R)-2-[(4-ethoxybenzoyl)amino]-3-phenylpropanoate?
The InChIKey is ODMWLHJPRGHTAQ-MRXNPFEDSA-M. The full InChI is InChI=1S/C18H19NO4/c1-2-23-15-10-8-14(9-11-15)17(20)19-16(18(21)22)12-13-6-4-3-5-7-13/h3-11,16H,2,12H2,1H3,(H,19,20)(H,21,22)/p-1/t16-/m1/s1.
What are the key properties of (2R)-2-[(4-ethoxybenzoyl)amino]-3-phenylpropanoate?
(2R)-2-[(4-ethoxybenzoyl)amino]-3-phenylpropanoate has a molecular weight of 312.35 g/mol, XLogP of 1.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-ethoxybenzoyl)amino]-3-phenylpropanoate is sourced from PubChem (CID 6947599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).