N-[(2S)-4-oxo-4-phenylbutan-2-yl]furan-3-carboxamide

C15H15NO3 — CID 97086513

IUPACN-[(2S)-4-oxo-4-phenylbutan-2-yl]furan-3-carboxamide
SMILESC[C@@H](CC(=O)c1ccccc1)NC(=O)c1ccoc1
InChIInChI=1S/C15H15NO3/c1-11(16-15(18)13-7-8-19-10-13)9-14(17)12-5-3-2-4-6-12/h2-8,10-11H,9H2,1H3,(H,16,18)/t11-/m0/s1
InChIKeyJZHPYQVLZIUOQC-NSHDSACASA-N
MW257.29 g/mol
LogP2.67
Rot. Bonds5

About N-[(2S)-4-oxo-4-phenylbutan-2-yl]furan-3-carboxamide

N-[(2S)-4-oxo-4-phenylbutan-2-yl]furan-3-carboxamide (PubChem CID 97086513) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-[(2S)-4-oxo-4-phenylbutan-2-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-4-oxo-4-phenylbutan-2-yl]furan-3-carboxamide
PubChem CID97086513
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC NameN-[(2S)-4-oxo-4-phenylbutan-2-yl]furan-3-carboxamide
SMILESC[C@@H](CC(=O)c1ccccc1)NC(=O)c1ccoc1
InChIInChI=1S/C15H15NO3/c1-11(16-15(18)13-7-8-19-10-13)9-14(17)12-5-3-2-4-6-12/h2-8,10-11H,9H2,1H3,(H,16,18)/t11-/m0/s1
InChIKeyJZHPYQVLZIUOQC-NSHDSACASA-N
XLogP2.67
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-oxo-4-phenylbutan-2-yl)benzamide
CID 15430092
(E)-2,3-bis[(2S)-2-benzamidopropyl]but-2-enedioic acid
CID 126482935
(E)-2,3-bis[(2R)-2-benzamidopropyl]but-2-enedioic acid
CID 126483406
methyl (3S)-3-(furan-3-carbonylamino)-3-phenylpropanoate
CID 41177012
methyl 2-benzyl-3-(furan-3-carbonylamino)butanoate
CID 119053068
N-[(1R)-2-hydroxy-1-phenylethyl]furan-3-carboxamide
CID 113258885
N-(4-amino-4-oxobutan-2-yl)benzamide
CID 47112685
N-(3-oxobutan-2-yl)furan-3-carboxamide
CID 64997031
N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]furan-3-carboxamide
CID 124891983
1,3,5-trimethyl-N-[(2S)-4-oxo-4-phenylbutan-2-yl]pyrazole-4-carboxamide
CID 97065090
(2R)-2-(furan-3-carbonylamino)-2-phenylacetic acid
CID 30049473
methyl 3-benzamidobutanoate
CID 10857046

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-oxo-4-phenylbutan-2-yl]furan-3-carboxamide?
The IUPAC name of N-[(2S)-4-oxo-4-phenylbutan-2-yl]furan-3-carboxamide (CID 97086513) is N-[(2S)-4-oxo-4-phenylbutan-2-yl]furan-3-carboxamide.
What is the SMILES notation for N-[(2S)-4-oxo-4-phenylbutan-2-yl]furan-3-carboxamide?
The canonical SMILES for N-[(2S)-4-oxo-4-phenylbutan-2-yl]furan-3-carboxamide is C[C@@H](CC(=O)c1ccccc1)NC(=O)c1ccoc1.
What is the InChIKey of N-[(2S)-4-oxo-4-phenylbutan-2-yl]furan-3-carboxamide?
The InChIKey is JZHPYQVLZIUOQC-NSHDSACASA-N. The full InChI is InChI=1S/C15H15NO3/c1-11(16-15(18)13-7-8-19-10-13)9-14(17)12-5-3-2-4-6-12/h2-8,10-11H,9H2,1H3,(H,16,18)/t11-/m0/s1.
What are the key properties of N-[(2S)-4-oxo-4-phenylbutan-2-yl]furan-3-carboxamide?
N-[(2S)-4-oxo-4-phenylbutan-2-yl]furan-3-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-oxo-4-phenylbutan-2-yl]furan-3-carboxamide is sourced from PubChem (CID 97086513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).