(2R)-2-[(4-methoxybenzoyl)amino]-2-phenylacetate

C16H14NO4- — CID 6948068

IUPAC(2R)-2-[(4-methoxybenzoyl)amino]-2-phenylacetate
SMILESCOc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2)cc1
InChIInChI=1S/C16H15NO4/c1-21-13-9-7-12(8-10-13)15(18)17-14(16(19)20)11-5-3-2-4-6-11/h2-10,14H,1H3,(H,17,18)(H,19,20)/p-1/t14-/m1/s1
InChIKeyMBNRIDZSQPHJRF-CQSZACIVSA-M
MW284.29 g/mol
LogP0.92
Rot. Bonds5

About (2R)-2-[(4-methoxybenzoyl)amino]-2-phenylacetate

(2R)-2-[(4-methoxybenzoyl)amino]-2-phenylacetate (PubChem CID 6948068) has the molecular formula C16H14NO4- and a molecular weight of 284.29 g/mol. Its IUPAC name is (2R)-2-[(4-methoxybenzoyl)amino]-2-phenylacetate.

Molecular Properties

Compound Name(2R)-2-[(4-methoxybenzoyl)amino]-2-phenylacetate
PubChem CID6948068
Molecular FormulaC16H14NO4-
Molecular Weight284.29 g/mol
Exact Mass284.09
IUPAC Name(2R)-2-[(4-methoxybenzoyl)amino]-2-phenylacetate
SMILESCOc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2)cc1
InChIInChI=1S/C16H15NO4/c1-21-13-9-7-12(8-10-13)15(18)17-14(16(19)20)11-5-3-2-4-6-11/h2-10,14H,1H3,(H,17,18)(H,19,20)/p-1/t14-/m1/s1
InChIKeyMBNRIDZSQPHJRF-CQSZACIVSA-M
XLogP0.92
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-oxo-1-phenylethyl)-4-methoxybenzamide
CID 51315270
4-methoxy-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]benzamide
CID 110286844
4-methoxy-N-[(1S)-2-(4-methylpiperazin-1-yl)-2-oxo-1-phenylethyl]benzamide
CID 110287010
2-(4-methoxyphenyl)-2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]acetic acid
CID 120530324
4-[[2-[(4-methoxybenzoyl)amino]-2-phenylacetyl]amino]butanoic acid
CID 119170708
N-[(1S)-2-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-oxoethyl]benzamide
CID 102217695
(2R)-2-[[2-[(4-methoxybenzoyl)amino]-2-phenylacetyl]amino]-4-methylpentanoic acid
CID 119364694
N-[2-[[(E)-but-2-enyl]amino]-2-oxo-1-phenylethyl]-4-methoxybenzamide
CID 167917675
4-methoxy-N-[2-[4-(methylamino)piperidin-1-yl]-2-oxo-1-phenylethyl]benzamide;hydrochloride
CID 119562927
4-methoxy-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 26174053
N-[(R)-cyclopentyl(phenyl)methyl]-4-methoxybenzamide
CID 978301
4-methoxy-N-[2-[(2-methylpiperidin-4-yl)amino]-2-oxo-1-phenylethyl]benzamide
CID 120602324

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-methoxybenzoyl)amino]-2-phenylacetate?
The IUPAC name of (2R)-2-[(4-methoxybenzoyl)amino]-2-phenylacetate (CID 6948068) is (2R)-2-[(4-methoxybenzoyl)amino]-2-phenylacetate.
What is the SMILES notation for (2R)-2-[(4-methoxybenzoyl)amino]-2-phenylacetate?
The canonical SMILES for (2R)-2-[(4-methoxybenzoyl)amino]-2-phenylacetate is COc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2)cc1.
What is the InChIKey of (2R)-2-[(4-methoxybenzoyl)amino]-2-phenylacetate?
The InChIKey is MBNRIDZSQPHJRF-CQSZACIVSA-M. The full InChI is InChI=1S/C16H15NO4/c1-21-13-9-7-12(8-10-13)15(18)17-14(16(19)20)11-5-3-2-4-6-11/h2-10,14H,1H3,(H,17,18)(H,19,20)/p-1/t14-/m1/s1.
What are the key properties of (2R)-2-[(4-methoxybenzoyl)amino]-2-phenylacetate?
(2R)-2-[(4-methoxybenzoyl)amino]-2-phenylacetate has a molecular weight of 284.29 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-methoxybenzoyl)amino]-2-phenylacetate is sourced from PubChem (CID 6948068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).