ethyl (2S)-2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-3-phenylpropanoate

C24H29NO5 — CID 57029347

IUPACethyl (2S)-2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-3-phenylpropanoate
SMILESCCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(OC)c(OC2CCCC2)c1
InChIInChI=1S/C24H29NO5/c1-3-29-24(27)20(15-17-9-5-4-6-10-17)25-23(26)18-13-14-21(28-2)22(16-18)30-19-11-7-8-12-19/h4-6,9-10,13-14,16,19-20H,3,7-8,11-12,15H2,1-2H3,(H,25,26)/t20-/m0/s1
InChIKeyVNERICFXOFRZCH-FQEVSTJZSA-N
MW411.50 g/mol
LogP3.92
Rot. Bonds9

About ethyl (2S)-2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-3-phenylpropanoate

ethyl (2S)-2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-3-phenylpropanoate (PubChem CID 57029347) has the molecular formula C24H29NO5 and a molecular weight of 411.50 g/mol. Its IUPAC name is ethyl (2S)-2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl (2S)-2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-3-phenylpropanoate
PubChem CID57029347
Molecular FormulaC24H29NO5
Molecular Weight411.50 g/mol
Exact Mass411.20
IUPAC Nameethyl (2S)-2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-3-phenylpropanoate
SMILESCCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(OC)c(OC2CCCC2)c1
InChIInChI=1S/C24H29NO5/c1-3-29-24(27)20(15-17-9-5-4-6-10-17)25-23(26)18-13-14-21(28-2)22(16-18)30-19-11-7-8-12-19/h4-6,9-10,13-14,16,19-20H,3,7-8,11-12,15H2,1-2H3,(H,25,26)/t20-/m0/s1
InChIKeyVNERICFXOFRZCH-FQEVSTJZSA-N
XLogP3.92
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-3-phenylpropanoic acid
CID 120512153
ethyl 2-[(3-amino-4-methoxybenzoyl)amino]-3-phenylpropanoate
CID 140996203
2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]hexanoic acid
CID 120537921
methyl (2S)-2-[(3,4-dimethoxybenzoyl)amino]-3-phenylpropanoate
CID 10360063
2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]butanoic acid
CID 119223918
[2-(4-methylphenyl)-2-oxoethyl] 2-[(3,4-dimethoxybenzoyl)amino]-3-phenylpropanoate
CID 3513552
benzamide;3-cyclopentyloxy-4-methoxybenzamide
CID 18691056
4-cyclopentyloxy-N-[2-(dimethylamino)-1-phenylethyl]-3-methoxybenzamide
CID 78889552
2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]-3-methylpentanoic acid
CID 119211996
(3S)-3-[(3,4-dimethoxybenzoyl)amino]-4-oxo-4-phenylmethoxybutanoic acid;hydrochloride
CID 175958288
2-[3-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]phenyl]acetic acid
CID 120530673
ethyl (2S)-3-phenyl-2-[(3,4,5-trihydroxybenzoyl)amino]propanoate
CID 129232233

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-3-phenylpropanoate?
The IUPAC name of ethyl (2S)-2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-3-phenylpropanoate (CID 57029347) is ethyl (2S)-2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-3-phenylpropanoate.
What is the SMILES notation for ethyl (2S)-2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-3-phenylpropanoate?
The canonical SMILES for ethyl (2S)-2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-3-phenylpropanoate is CCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(OC)c(OC2CCCC2)c1.
What is the InChIKey of ethyl (2S)-2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-3-phenylpropanoate?
The InChIKey is VNERICFXOFRZCH-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H29NO5/c1-3-29-24(27)20(15-17-9-5-4-6-10-17)25-23(26)18-13-14-21(28-2)22(16-18)30-19-11-7-8-12-19/h4-6,9-10,13-14,16,19-20H,3,7-8,11-12,15H2,1-2H3,(H,25,26)/t20-/m0/s1.
What are the key properties of ethyl (2S)-2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-3-phenylpropanoate?
ethyl (2S)-2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-3-phenylpropanoate has a molecular weight of 411.50 g/mol, XLogP of 3.92, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-3-phenylpropanoate is sourced from PubChem (CID 57029347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).