N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]benzamide

C13H17NO2 — CID 173402409

IUPACN-[(2S,3S)-3-methyl-1-oxopentan-2-yl]benzamide
SMILESCC[C@H](C)[C@@H](C=O)NC(=O)c1ccccc1
InChIInChI=1S/C13H17NO2/c1-3-10(2)12(9-15)14-13(16)11-7-5-4-6-8-11/h4-10,12H,3H2,1-2H3,(H,14,16)/t10-,12+/m0/s1
InChIKeyFSYWDXHXWBLLEO-CMPLNLGQSA-N
MW219.28 g/mol
LogP2.03
Rot. Bonds5

About N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]benzamide

N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]benzamide (PubChem CID 173402409) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2S,3S)-3-methyl-1-oxopentan-2-yl]benzamide
PubChem CID173402409
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC NameN-[(2S,3S)-3-methyl-1-oxopentan-2-yl]benzamide
SMILESCC[C@H](C)[C@@H](C=O)NC(=O)c1ccccc1
InChIInChI=1S/C13H17NO2/c1-3-10(2)12(9-15)14-13(16)11-7-5-4-6-8-11/h4-10,12H,3H2,1-2H3,(H,14,16)/t10-,12+/m0/s1
InChIKeyFSYWDXHXWBLLEO-CMPLNLGQSA-N
XLogP2.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-[(2S)-3-methyl-1-oxopentan-2-yl]benzamide
CID 173108274
N-[(2R)-1-oxopropan-2-yl]benzamide
CID 59710359
(3-methyl-1-oxopentan-2-yl)carbamic acid
CID 22368838
methyl (2S,3S)-2-benzamido-3-methylpentanoate
CID 13148833
N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 13129547
N-(1-methoxypropyl)benzamide
CID 102478557
N-(3,3-dimethyl-4-oxobutan-2-yl)benzamide
CID 59051843
N-(3-methyl-1-oxopentan-2-yl)propanamide
CID 19592258
N-[(1S)-1-diethoxyphosphoryl-2-oxoethyl]benzamide
CID 40537671
N-[(2S)-3-methyl-1-oxo-1-[[(2R)-pentan-2-yl]amino]pentan-2-yl]benzamide
CID 173102117
CID 68891597
CID 68891597
N-[1-(propanoylamino)ethyl]benzamide
CID 123943700

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]benzamide?
The IUPAC name of N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]benzamide (CID 173402409) is N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]benzamide?
The canonical SMILES for N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]benzamide is CC[C@H](C)[C@@H](C=O)NC(=O)c1ccccc1.
What is the InChIKey of N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]benzamide?
The InChIKey is FSYWDXHXWBLLEO-CMPLNLGQSA-N. The full InChI is InChI=1S/C13H17NO2/c1-3-10(2)12(9-15)14-13(16)11-7-5-4-6-8-11/h4-10,12H,3H2,1-2H3,(H,14,16)/t10-,12+/m0/s1.
What are the key properties of N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]benzamide?
N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]benzamide has a molecular weight of 219.28 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 173402409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).