2-[(4-ethoxybenzoyl)-(2-phenylethyl)amino]acetic acid

C19H21NO4 — CID 119347170

IUPAC2-[(4-ethoxybenzoyl)-(2-phenylethyl)amino]acetic acid
SMILESCCOc1ccc(C(=O)N(CCc2ccccc2)CC(=O)O)cc1
InChIInChI=1S/C19H21NO4/c1-2-24-17-10-8-16(9-11-17)19(23)20(14-18(21)22)13-12-15-6-4-3-5-7-15/h3-11H,2,12-14H2,1H3,(H,21,22)
InChIKeyABXUBRXUHNZXNG-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.85
Rot. Bonds8

About 2-[(4-ethoxybenzoyl)-(2-phenylethyl)amino]acetic acid

2-[(4-ethoxybenzoyl)-(2-phenylethyl)amino]acetic acid (PubChem CID 119347170) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-[(4-ethoxybenzoyl)-(2-phenylethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-ethoxybenzoyl)-(2-phenylethyl)amino]acetic acid
PubChem CID119347170
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name2-[(4-ethoxybenzoyl)-(2-phenylethyl)amino]acetic acid
SMILESCCOc1ccc(C(=O)N(CCc2ccccc2)CC(=O)O)cc1
InChIInChI=1S/C19H21NO4/c1-2-24-17-10-8-16(9-11-17)19(23)20(14-18(21)22)13-12-15-6-4-3-5-7-15/h3-11H,2,12-14H2,1H3,(H,21,22)
InChIKeyABXUBRXUHNZXNG-UHFFFAOYSA-N
XLogP2.85
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-4-ethoxy-N-(2-phenylethyl)benzamide;hydrochloride
CID 120885321
2-[[4-(acetamidomethyl)benzoyl]-(2-phenylethyl)amino]acetic acid
CID 119347576
2-[2-phenylethyl-(3,4,5-trimethoxybenzoyl)amino]acetic acid
CID 100592353
2-[[4-(2,2-dimethylpropylcarbamoyl)benzoyl]-(2-phenylethyl)amino]acetic acid
CID 119347218
2-[2-phenylethyl-(4-propan-2-ylsulfonylbenzoyl)amino]acetic acid
CID 119347223
N-benzyl-N-(2-cyanoethyl)-4-ethoxybenzamide
CID 43911691
2-[[4-[(2,2-dimethylpropanoylamino)methyl]benzoyl]-(2-phenylethyl)amino]acetic acid
CID 119347462
2-[2-phenylethyl-(6-propan-2-yloxypyridine-3-carbonyl)amino]acetic acid
CID 120540542
N-[(4-ethoxyphenyl)methyl]-4-ethyl-N-(2-pyridin-2-ylethyl)benzamide
CID 1057393
2-[benzoyl(propyl)amino]acetic acid
CID 61011930
N-(3-amino-3-oxopropyl)-4-(2-phenoxyethoxy)-N-(2-phenylethyl)benzamide
CID 54789845
N,N-diethyl-4-phenylmethoxybenzamide
CID 4958372

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxybenzoyl)-(2-phenylethyl)amino]acetic acid?
The IUPAC name of 2-[(4-ethoxybenzoyl)-(2-phenylethyl)amino]acetic acid (CID 119347170) is 2-[(4-ethoxybenzoyl)-(2-phenylethyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-ethoxybenzoyl)-(2-phenylethyl)amino]acetic acid?
The canonical SMILES for 2-[(4-ethoxybenzoyl)-(2-phenylethyl)amino]acetic acid is CCOc1ccc(C(=O)N(CCc2ccccc2)CC(=O)O)cc1.
What is the InChIKey of 2-[(4-ethoxybenzoyl)-(2-phenylethyl)amino]acetic acid?
The InChIKey is ABXUBRXUHNZXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-2-24-17-10-8-16(9-11-17)19(23)20(14-18(21)22)13-12-15-6-4-3-5-7-15/h3-11H,2,12-14H2,1H3,(H,21,22).
What are the key properties of 2-[(4-ethoxybenzoyl)-(2-phenylethyl)amino]acetic acid?
2-[(4-ethoxybenzoyl)-(2-phenylethyl)amino]acetic acid has a molecular weight of 327.38 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxybenzoyl)-(2-phenylethyl)amino]acetic acid is sourced from PubChem (CID 119347170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).