N-(2-methyl-3-oxoheptan-4-yl)benzamide

C15H21NO2 — CID 174885665

IUPACN-(2-methyl-3-oxoheptan-4-yl)benzamide
SMILESCCCC(NC(=O)c1ccccc1)C(=O)C(C)C
InChIInChI=1S/C15H21NO2/c1-4-8-13(14(17)11(2)3)16-15(18)12-9-6-5-7-10-12/h5-7,9-11,13H,4,8H2,1-3H3,(H,16,18)
InChIKeyKYPKLQQMJVOFMU-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.81
Rot. Bonds6

About N-(2-methyl-3-oxoheptan-4-yl)benzamide

N-(2-methyl-3-oxoheptan-4-yl)benzamide (PubChem CID 174885665) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(2-methyl-3-oxoheptan-4-yl)benzamide.

Molecular Properties

Compound NameN-(2-methyl-3-oxoheptan-4-yl)benzamide
PubChem CID174885665
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-(2-methyl-3-oxoheptan-4-yl)benzamide
SMILESCCCC(NC(=O)c1ccccc1)C(=O)C(C)C
InChIInChI=1S/C15H21NO2/c1-4-8-13(14(17)11(2)3)16-15(18)12-9-6-5-7-10-12/h5-7,9-11,13H,4,8H2,1-3H3,(H,16,18)
InChIKeyKYPKLQQMJVOFMU-UHFFFAOYSA-N
XLogP2.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(4-phenylbenzoyl)amino]pentanoic acid
CID 126627406
2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]pentanoic acid
CID 120534623
ethane;N-(4-methyl-3-oxopentan-2-yl)benzamide
CID 168983006
N-[4-oxo-4-(pentan-2-ylamino)butan-2-yl]benzamide
CID 24639425
2-benzamido-4-ethylsulfonylbutanoic acid
CID 108731663
N-[(2S)-3-methyl-1-oxo-1-[[(2R)-pentan-2-yl]amino]pentan-2-yl]benzamide
CID 173102117
N-[1-(propanoylamino)ethyl]benzamide
CID 123943700
(2R)-2-[(4-hydroxybenzoyl)amino]pentanoic acid
CID 107563370
ethyl 2-benzamido-4-methylpentanoate
CID 12773376
1-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-2-(methylamino)pentan-1-one
CID 76974159
(2R)-2-[[(3S)-3-benzamido-3-phenylpropanoyl]amino]pentanoic acid
CID 100650906
N-(4-aminobutan-2-yl)benzamide
CID 62087210

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-oxoheptan-4-yl)benzamide?
The IUPAC name of N-(2-methyl-3-oxoheptan-4-yl)benzamide (CID 174885665) is N-(2-methyl-3-oxoheptan-4-yl)benzamide.
What is the SMILES notation for N-(2-methyl-3-oxoheptan-4-yl)benzamide?
The canonical SMILES for N-(2-methyl-3-oxoheptan-4-yl)benzamide is CCCC(NC(=O)c1ccccc1)C(=O)C(C)C.
What is the InChIKey of N-(2-methyl-3-oxoheptan-4-yl)benzamide?
The InChIKey is KYPKLQQMJVOFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-4-8-13(14(17)11(2)3)16-15(18)12-9-6-5-7-10-12/h5-7,9-11,13H,4,8H2,1-3H3,(H,16,18).
What are the key properties of N-(2-methyl-3-oxoheptan-4-yl)benzamide?
N-(2-methyl-3-oxoheptan-4-yl)benzamide has a molecular weight of 247.34 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-oxoheptan-4-yl)benzamide is sourced from PubChem (CID 174885665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).