(3R,4R)-3-[(4-ethoxyphenyl)carbamoyl]-4-phenylpentanoic acid

C20H23NO4 — CID 761485

IUPAC(3R,4R)-3-[(4-ethoxyphenyl)carbamoyl]-4-phenylpentanoic acid
SMILESCCOc1ccc(NC(=O)[C@H](CC(=O)O)[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C20H23NO4/c1-3-25-17-11-9-16(10-12-17)21-20(24)18(13-19(22)23)14(2)15-7-5-4-6-8-15/h4-12,14,18H,3,13H2,1-2H3,(H,21,24)(H,22,23)/t14-,18+/m0/s1
InChIKeyVZJPWEDEZGGGAM-KBXCAEBGSA-N
MW341.41 g/mol
LogP3.92
Rot. Bonds8

About (3R,4R)-3-[(4-ethoxyphenyl)carbamoyl]-4-phenylpentanoic acid

(3R,4R)-3-[(4-ethoxyphenyl)carbamoyl]-4-phenylpentanoic acid (PubChem CID 761485) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is (3R,4R)-3-[(4-ethoxyphenyl)carbamoyl]-4-phenylpentanoic acid.

Molecular Properties

Compound Name(3R,4R)-3-[(4-ethoxyphenyl)carbamoyl]-4-phenylpentanoic acid
PubChem CID761485
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name(3R,4R)-3-[(4-ethoxyphenyl)carbamoyl]-4-phenylpentanoic acid
SMILESCCOc1ccc(NC(=O)[C@H](CC(=O)O)[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C20H23NO4/c1-3-25-17-11-9-16(10-12-17)21-20(24)18(13-19(22)23)14(2)15-7-5-4-6-8-15/h4-12,14,18H,3,13H2,1-2H3,(H,21,24)(H,22,23)/t14-,18+/m0/s1
InChIKeyVZJPWEDEZGGGAM-KBXCAEBGSA-N
XLogP3.92
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethoxyphenyl)-3,3-diphenylpropanamide
CID 836173
N-(4-ethoxyphenyl)-2-phenylpentanamide
CID 112760775
(2R)-N-(4-ethoxyphenyl)-2-(4-methoxyphenoxy)-2-phenylacetamide
CID 96564594
1-(4-ethoxyphenyl)-3-[(1S)-1-phenylpropyl]urea
CID 40635808
(2S)-2-[benzyl(methyl)amino]-N-(4-ethoxyphenyl)propanamide
CID 9274605
N-(4-ethoxyphenyl)-2-[[(1S)-1-phenylethyl]amino]-2-sulfanylideneacetamide
CID 7375064
N-(4-ethoxyphenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 8898537
(3S,4R)-3-(benzylcarbamoyl)-4-phenylpentanoic acid
CID 805106
N-[1-[4-(4-ethoxyphenoxy)anilino]-1-oxopropan-2-yl]benzamide
CID 24636992
N'-(4-ethoxyphenyl)-N-[(2R)-2-phenylpropyl]oxamide
CID 40977164
benzyl-[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]-methylazanium
CID 9274599
1-[(2,2-diphenylacetyl)amino]-3-(4-ethoxyphenyl)thiourea
CID 40631596

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-[(4-ethoxyphenyl)carbamoyl]-4-phenylpentanoic acid?
The IUPAC name of (3R,4R)-3-[(4-ethoxyphenyl)carbamoyl]-4-phenylpentanoic acid (CID 761485) is (3R,4R)-3-[(4-ethoxyphenyl)carbamoyl]-4-phenylpentanoic acid.
What is the SMILES notation for (3R,4R)-3-[(4-ethoxyphenyl)carbamoyl]-4-phenylpentanoic acid?
The canonical SMILES for (3R,4R)-3-[(4-ethoxyphenyl)carbamoyl]-4-phenylpentanoic acid is CCOc1ccc(NC(=O)[C@H](CC(=O)O)[C@@H](C)c2ccccc2)cc1.
What is the InChIKey of (3R,4R)-3-[(4-ethoxyphenyl)carbamoyl]-4-phenylpentanoic acid?
The InChIKey is VZJPWEDEZGGGAM-KBXCAEBGSA-N. The full InChI is InChI=1S/C20H23NO4/c1-3-25-17-11-9-16(10-12-17)21-20(24)18(13-19(22)23)14(2)15-7-5-4-6-8-15/h4-12,14,18H,3,13H2,1-2H3,(H,21,24)(H,22,23)/t14-,18+/m0/s1.
What are the key properties of (3R,4R)-3-[(4-ethoxyphenyl)carbamoyl]-4-phenylpentanoic acid?
(3R,4R)-3-[(4-ethoxyphenyl)carbamoyl]-4-phenylpentanoic acid has a molecular weight of 341.41 g/mol, XLogP of 3.92, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-[(4-ethoxyphenyl)carbamoyl]-4-phenylpentanoic acid is sourced from PubChem (CID 761485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).