2-[4-[[(2S)-2-phenylbutanoyl]amino]phenyl]acetate

C18H18NO3- — CID 6955755

IUPAC2-[4-[[(2S)-2-phenylbutanoyl]amino]phenyl]acetate
SMILESCC[C@H](C(=O)Nc1ccc(CC(=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C18H19NO3/c1-2-16(14-6-4-3-5-7-14)18(22)19-15-10-8-13(9-11-15)12-17(20)21/h3-11,16H,2,12H2,1H3,(H,19,22)(H,20,21)/p-1/t16-/m0/s1
InChIKeyAZXSGBRXFNAKHI-INIZCTEOSA-M
MW296.35 g/mol
LogP2.11
Rot. Bonds6

About 2-[4-[[(2S)-2-phenylbutanoyl]amino]phenyl]acetate

2-[4-[[(2S)-2-phenylbutanoyl]amino]phenyl]acetate (PubChem CID 6955755) has the molecular formula C18H18NO3- and a molecular weight of 296.35 g/mol. Its IUPAC name is 2-[4-[[(2S)-2-phenylbutanoyl]amino]phenyl]acetate.

Molecular Properties

Compound Name2-[4-[[(2S)-2-phenylbutanoyl]amino]phenyl]acetate
PubChem CID6955755
Molecular FormulaC18H18NO3-
Molecular Weight296.35 g/mol
Exact Mass296.13
IUPAC Name2-[4-[[(2S)-2-phenylbutanoyl]amino]phenyl]acetate
SMILESCC[C@H](C(=O)Nc1ccc(CC(=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C18H19NO3/c1-2-16(14-6-4-3-5-7-14)18(22)19-15-10-8-13(9-11-15)12-17(20)21/h3-11,16H,2,12H2,1H3,(H,19,22)(H,20,21)/p-1/t16-/m0/s1
InChIKeyAZXSGBRXFNAKHI-INIZCTEOSA-M
XLogP2.11
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethylphenyl)-2-phenylbutanamide
CID 2905197
(2R)-N-(4-methylphenyl)-2-phenylbutanamide
CID 835806
N-(4-hydroxyphenyl)-2-phenylbutanamide
CID 17708
3-[4-(2-phenylbutanoylamino)phenyl]propanoic acid
CID 119252366
(2S)-2-phenyl-N-(4-propan-2-ylphenyl)butanamide
CID 803292
(2S)-N-[4-[(2R)-butan-2-yl]phenyl]-2-phenylbutanamide
CID 7029038
2-phenyl-N-pyridin-1-ium-4-ylbutanamide
CID 3621180
N-(4-cyanophenyl)-2-phenylbutanamide
CID 4632444
N-[4-(dimethylsulfamoyl)phenyl]-2-phenylbutanamide
CID 6465200
2-phenyl-N-[4-(propan-2-ylsulfamoyl)phenyl]butanamide
CID 17147291
N-(2-benzamidoethyl)-4-(2-phenylbutanoylamino)benzamide
CID 121063165
N-(3-ethylphenyl)-2-phenylbutanamide
CID 2931545

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2S)-2-phenylbutanoyl]amino]phenyl]acetate?
The IUPAC name of 2-[4-[[(2S)-2-phenylbutanoyl]amino]phenyl]acetate (CID 6955755) is 2-[4-[[(2S)-2-phenylbutanoyl]amino]phenyl]acetate.
What is the SMILES notation for 2-[4-[[(2S)-2-phenylbutanoyl]amino]phenyl]acetate?
The canonical SMILES for 2-[4-[[(2S)-2-phenylbutanoyl]amino]phenyl]acetate is CC[C@H](C(=O)Nc1ccc(CC(=O)[O-])cc1)c1ccccc1.
What is the InChIKey of 2-[4-[[(2S)-2-phenylbutanoyl]amino]phenyl]acetate?
The InChIKey is AZXSGBRXFNAKHI-INIZCTEOSA-M. The full InChI is InChI=1S/C18H19NO3/c1-2-16(14-6-4-3-5-7-14)18(22)19-15-10-8-13(9-11-15)12-17(20)21/h3-11,16H,2,12H2,1H3,(H,19,22)(H,20,21)/p-1/t16-/m0/s1.
What are the key properties of 2-[4-[[(2S)-2-phenylbutanoyl]amino]phenyl]acetate?
2-[4-[[(2S)-2-phenylbutanoyl]amino]phenyl]acetate has a molecular weight of 296.35 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2S)-2-phenylbutanoyl]amino]phenyl]acetate is sourced from PubChem (CID 6955755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).