N-(4-oxo-4-phenylbutan-2-yl)benzamide

C17H17NO2 — CID 15430092

IUPACN-(4-oxo-4-phenylbutan-2-yl)benzamide
SMILESCC(CC(=O)c1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C17H17NO2/c1-13(12-16(19)14-8-4-2-5-9-14)18-17(20)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3,(H,18,20)
InChIKeyDZZCTCOQUCQXKY-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.08
Rot. Bonds5

About N-(4-oxo-4-phenylbutan-2-yl)benzamide

N-(4-oxo-4-phenylbutan-2-yl)benzamide (PubChem CID 15430092) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-(4-oxo-4-phenylbutan-2-yl)benzamide.

Molecular Properties

Compound NameN-(4-oxo-4-phenylbutan-2-yl)benzamide
PubChem CID15430092
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC NameN-(4-oxo-4-phenylbutan-2-yl)benzamide
SMILESCC(CC(=O)c1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C17H17NO2/c1-13(12-16(19)14-8-4-2-5-9-14)18-17(20)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3,(H,18,20)
InChIKeyDZZCTCOQUCQXKY-UHFFFAOYSA-N
XLogP3.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(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
N-[(2S)-4-oxo-4-phenylbutan-2-yl]furan-3-carboxamide
CID 97086513
N-(4-amino-4-oxobutan-2-yl)benzamide
CID 47112685
methyl 3-benzamidobutanoate
CID 10857046
N-(1-(18F)fluoropropan-2-yl)(18F)benzamide
CID 177440113
N-(1-chloropropan-2-yl)benzamide
CID 3683093
N-[4-(tert-butylamino)-4-oxobutan-2-yl]benzamide
CID 43053096
N-[4-oxo-4-(pentan-2-ylamino)butan-2-yl]benzamide
CID 24639425
N-(4-aminobutan-2-yl)benzamide
CID 62087210
2-oxopropyl 3-benzamidobutanoate
CID 46819800
[2-(4-chlorophenyl)-2-oxoethyl] 3-benzamidobutanoate
CID 46819830

Frequently Asked Questions

What is the IUPAC name of N-(4-oxo-4-phenylbutan-2-yl)benzamide?
The IUPAC name of N-(4-oxo-4-phenylbutan-2-yl)benzamide (CID 15430092) is N-(4-oxo-4-phenylbutan-2-yl)benzamide.
What is the SMILES notation for N-(4-oxo-4-phenylbutan-2-yl)benzamide?
The canonical SMILES for N-(4-oxo-4-phenylbutan-2-yl)benzamide is CC(CC(=O)c1ccccc1)NC(=O)c1ccccc1.
What is the InChIKey of N-(4-oxo-4-phenylbutan-2-yl)benzamide?
The InChIKey is DZZCTCOQUCQXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-13(12-16(19)14-8-4-2-5-9-14)18-17(20)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3,(H,18,20).
What are the key properties of N-(4-oxo-4-phenylbutan-2-yl)benzamide?
N-(4-oxo-4-phenylbutan-2-yl)benzamide has a molecular weight of 267.33 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxo-4-phenylbutan-2-yl)benzamide is sourced from PubChem (CID 15430092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).