methyl (3R)-4-benzamido-4-oxo-3-phenylbutanoate

C18H17NO4 — CID 134955411

IUPACmethyl (3R)-4-benzamido-4-oxo-3-phenylbutanoate
SMILESCOC(=O)C[C@@H](C(=O)NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H17NO4/c1-23-16(20)12-15(13-8-4-2-5-9-13)18(22)19-17(21)14-10-6-3-7-11-14/h2-11,15H,12H2,1H3,(H,19,21,22)/t15-/m1/s1
InChIKeyOEIVSJYGRUHHRS-OAHLLOKOSA-N
MW311.34 g/mol
LogP2.29
Rot. Bonds5

About methyl (3R)-4-benzamido-4-oxo-3-phenylbutanoate

methyl (3R)-4-benzamido-4-oxo-3-phenylbutanoate (PubChem CID 134955411) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is methyl (3R)-4-benzamido-4-oxo-3-phenylbutanoate.

Molecular Properties

Compound Namemethyl (3R)-4-benzamido-4-oxo-3-phenylbutanoate
PubChem CID134955411
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Namemethyl (3R)-4-benzamido-4-oxo-3-phenylbutanoate
SMILESCOC(=O)C[C@@H](C(=O)NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H17NO4/c1-23-16(20)12-15(13-8-4-2-5-9-13)18(22)19-17(21)14-10-6-3-7-11-14/h2-11,15H,12H2,1H3,(H,19,21,22)/t15-/m1/s1
InChIKeyOEIVSJYGRUHHRS-OAHLLOKOSA-N
XLogP2.29
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-Benzamido-2-oxoethyl) 2-phenylbutanoate
CID 16528422
Ethyl 2-[[4-[(2-methylphenyl)methylcarbamoyl]phenyl]methyl]butanoate
CID 127040017
Methyl 4-[[2-[[2-[(4-methoxy-4-oxobutyl)carbamoyl]phenyl]diselanyl]benzoyl]amino]butanoate
CID 155551988
Ethyl 2-[[4-(benzylcarbamoyl)phenyl]methyl]butanoate
CID 127042485
Methyl 1-benzamido-2-phenylcyclopropane-1-carboxylate
CID 13045392
(3S)-4-(benzylamino)-4-oxo-3-phenylbutanoic acid
CID 49863455
N-[2-[4-(2-methylpropyl)phenyl]propanoyl]benzamide
CID 169094515
Methyl 3-(benzoylamino)-3-phenylpropanoate
CID 555448
methyl (3R)-5-benzamido-2-cyano-3-(4-fluorophenyl)-5-oxopentanoate
CID 11773030
methyl (3S)-5-benzamido-2-cyano-3-(4-fluorophenyl)-5-oxopentanoate
CID 134918017
Methyl 7-[(4-fluorobenzoyl)amino]-4,4-dimethyl-2-phenylheptanoate
CID 138971344
N-benzoyltetrahydro-2-oxo-4-phenyl-3-furancarboxamide
CID 15536127

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-4-benzamido-4-oxo-3-phenylbutanoate?
The IUPAC name of methyl (3R)-4-benzamido-4-oxo-3-phenylbutanoate (CID 134955411) is methyl (3R)-4-benzamido-4-oxo-3-phenylbutanoate.
What is the SMILES notation for methyl (3R)-4-benzamido-4-oxo-3-phenylbutanoate?
The canonical SMILES for methyl (3R)-4-benzamido-4-oxo-3-phenylbutanoate is COC(=O)C[C@@H](C(=O)NC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of methyl (3R)-4-benzamido-4-oxo-3-phenylbutanoate?
The InChIKey is OEIVSJYGRUHHRS-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H17NO4/c1-23-16(20)12-15(13-8-4-2-5-9-13)18(22)19-17(21)14-10-6-3-7-11-14/h2-11,15H,12H2,1H3,(H,19,21,22)/t15-/m1/s1.
What are the key properties of methyl (3R)-4-benzamido-4-oxo-3-phenylbutanoate?
methyl (3R)-4-benzamido-4-oxo-3-phenylbutanoate has a molecular weight of 311.34 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-4-benzamido-4-oxo-3-phenylbutanoate is sourced from PubChem (CID 134955411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).