3-methyl-N-[(2S)-3-methylbutan-2-yl]benzamide

C13H19NO — CID 94665537

IUPAC3-methyl-N-[(2S)-3-methylbutan-2-yl]benzamide
SMILESCc1cccc(C(=O)N[C@@H](C)C(C)C)c1
InChIInChI=1S/C13H19NO/c1-9(2)11(4)14-13(15)12-7-5-6-10(3)8-12/h5-9,11H,1-4H3,(H,14,15)/t11-/m0/s1
InChIKeyYACSGCBVGZVBRZ-NSHDSACASA-N
MW205.30 g/mol
LogP2.77
Rot. Bonds3

About 3-methyl-N-[(2S)-3-methylbutan-2-yl]benzamide

3-methyl-N-[(2S)-3-methylbutan-2-yl]benzamide (PubChem CID 94665537) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-methyl-N-[(2S)-3-methylbutan-2-yl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[(2S)-3-methylbutan-2-yl]benzamide
PubChem CID94665537
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-methyl-N-[(2S)-3-methylbutan-2-yl]benzamide
SMILESCc1cccc(C(=O)N[C@@H](C)C(C)C)c1
InChIInChI=1S/C13H19NO/c1-9(2)11(4)14-13(15)12-7-5-6-10(3)8-12/h5-9,11H,1-4H3,(H,14,15)/t11-/m0/s1
InChIKeyYACSGCBVGZVBRZ-NSHDSACASA-N
XLogP2.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-N-(3-methylbutan-2-yl)benzamide
CID 18712138
3-N-[(2R)-3-methylbutan-2-yl]benzene-1,3-dicarboxamide
CID 30827773
N-(1-chloro-3-methylbutan-2-yl)-3-methylbenzamide
CID 114305541
3-cyano-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 28831529
3-methyl-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzamide
CID 9051719
3-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 17197365
N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylbenzamide
CID 46828410
3-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102915094
3-methyl-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 7918060
N-[(2S)-1-(2,2-dimethylhydrazinyl)-1-oxopropan-2-yl]-3-methylbenzamide
CID 9179483
3-(methanesulfonamido)-N-(3-methylbutan-2-yl)benzamide
CID 43016598
N-[1-(1-hydroxypropan-2-ylamino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 78856876

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2S)-3-methylbutan-2-yl]benzamide?
The IUPAC name of 3-methyl-N-[(2S)-3-methylbutan-2-yl]benzamide (CID 94665537) is 3-methyl-N-[(2S)-3-methylbutan-2-yl]benzamide.
What is the SMILES notation for 3-methyl-N-[(2S)-3-methylbutan-2-yl]benzamide?
The canonical SMILES for 3-methyl-N-[(2S)-3-methylbutan-2-yl]benzamide is Cc1cccc(C(=O)N[C@@H](C)C(C)C)c1.
What is the InChIKey of 3-methyl-N-[(2S)-3-methylbutan-2-yl]benzamide?
The InChIKey is YACSGCBVGZVBRZ-NSHDSACASA-N. The full InChI is InChI=1S/C13H19NO/c1-9(2)11(4)14-13(15)12-7-5-6-10(3)8-12/h5-9,11H,1-4H3,(H,14,15)/t11-/m0/s1.
What are the key properties of 3-methyl-N-[(2S)-3-methylbutan-2-yl]benzamide?
3-methyl-N-[(2S)-3-methylbutan-2-yl]benzamide has a molecular weight of 205.30 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2S)-3-methylbutan-2-yl]benzamide is sourced from PubChem (CID 94665537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).