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

C14H19NO3 — CID 173108274

IUPAC2-methoxy-N-[(2S)-3-methyl-1-oxopentan-2-yl]benzamide
SMILESCCC(C)[C@@H](C=O)NC(=O)c1ccccc1OC
InChIInChI=1S/C14H19NO3/c1-4-10(2)12(9-16)15-14(17)11-7-5-6-8-13(11)18-3/h5-10,12H,4H2,1-3H3,(H,15,17)/t10?,12-/m1/s1
InChIKeyCFHPINLHJAIYOA-TVKKRMFBSA-N
MW249.31 g/mol
LogP2.04
Rot. Bonds6

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

2-methoxy-N-[(2S)-3-methyl-1-oxopentan-2-yl]benzamide (PubChem CID 173108274) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-methoxy-N-[(2S)-3-methyl-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[(2S)-3-methyl-1-oxopentan-2-yl]benzamide
PubChem CID173108274
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-methoxy-N-[(2S)-3-methyl-1-oxopentan-2-yl]benzamide
SMILESCCC(C)[C@@H](C=O)NC(=O)c1ccccc1OC
InChIInChI=1S/C14H19NO3/c1-4-10(2)12(9-16)15-14(17)11-7-5-6-8-13(11)18-3/h5-10,12H,4H2,1-3H3,(H,15,17)/t10?,12-/m1/s1
InChIKeyCFHPINLHJAIYOA-TVKKRMFBSA-N
XLogP2.04
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butan-2-yl-2-methoxybenzamide
CID 3117660
N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]benzamide
CID 173402409
2-methoxy-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 94867704
N-(1-aminobutan-2-yl)-2-methoxybenzamide
CID 63753352
(3R)-3-[(2-methoxybenzoyl)amino]butanoic acid
CID 93262749
N-butan-2-yl-2-[(2-methoxybenzoyl)amino]benzamide
CID 3936748
2-methoxy-N-[(2S)-1-methylsulfanylpropan-2-yl]benzamide
CID 58370506
2-(butan-2-ylamino)-1-(2-methoxyphenyl)propan-1-one
CID 82100962
[butan-2-yl-(2-methoxybenzoyl)phosphoryl]-(2-methoxyphenyl)methanone
CID 21217250
(2S)-2-[(2-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 42255886
2-methoxybenzohydrazide
CID 24051
2-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide
CID 43876733

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(2S)-3-methyl-1-oxopentan-2-yl]benzamide?
The IUPAC name of 2-methoxy-N-[(2S)-3-methyl-1-oxopentan-2-yl]benzamide (CID 173108274) is 2-methoxy-N-[(2S)-3-methyl-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for 2-methoxy-N-[(2S)-3-methyl-1-oxopentan-2-yl]benzamide?
The canonical SMILES for 2-methoxy-N-[(2S)-3-methyl-1-oxopentan-2-yl]benzamide is CCC(C)[C@@H](C=O)NC(=O)c1ccccc1OC.
What is the InChIKey of 2-methoxy-N-[(2S)-3-methyl-1-oxopentan-2-yl]benzamide?
The InChIKey is CFHPINLHJAIYOA-TVKKRMFBSA-N. The full InChI is InChI=1S/C14H19NO3/c1-4-10(2)12(9-16)15-14(17)11-7-5-6-8-13(11)18-3/h5-10,12H,4H2,1-3H3,(H,15,17)/t10?,12-/m1/s1.
What are the key properties of 2-methoxy-N-[(2S)-3-methyl-1-oxopentan-2-yl]benzamide?
2-methoxy-N-[(2S)-3-methyl-1-oxopentan-2-yl]benzamide has a molecular weight of 249.31 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(2S)-3-methyl-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 173108274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).