3-methyl-N-(2,2,3-trimethylbutanoyl)benzamide

C15H21NO2 — CID 69478861

IUPAC3-methyl-N-(2,2,3-trimethylbutanoyl)benzamide
SMILESCc1cccc(C(=O)NC(=O)C(C)(C)C(C)C)c1
InChIInChI=1S/C15H21NO2/c1-10(2)15(4,5)14(18)16-13(17)12-8-6-7-11(3)9-12/h6-10H,1-5H3,(H,16,17,18)
InChIKeyAMGFDEPDBXMYQS-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.93
Rot. Bonds3

About 3-methyl-N-(2,2,3-trimethylbutanoyl)benzamide

3-methyl-N-(2,2,3-trimethylbutanoyl)benzamide (PubChem CID 69478861) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-methyl-N-(2,2,3-trimethylbutanoyl)benzamide.

Molecular Properties

Compound Name3-methyl-N-(2,2,3-trimethylbutanoyl)benzamide
PubChem CID69478861
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name3-methyl-N-(2,2,3-trimethylbutanoyl)benzamide
SMILESCc1cccc(C(=O)NC(=O)C(C)(C)C(C)C)c1
InChIInChI=1S/C15H21NO2/c1-10(2)15(4,5)14(18)16-13(17)12-8-6-7-11(3)9-12/h6-10H,1-5H3,(H,16,17,18)
InChIKeyAMGFDEPDBXMYQS-UHFFFAOYSA-N
XLogP2.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-(3-methylbutan-2-yl)benzamide
CID 18712138
3-methyl-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 94665537
2,2-difluoro-3-methyl-1-(3-methylphenyl)butan-1-one
CID 142960653
methyl 2-[(3-methylbenzoyl)amino]prop-2-enoate
CID 123522259
3-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102915094
N-(2-aminopropyl)-3-methylbenzamide
CID 63733332
3-methyl-N-(2-methylpropyl)benzamide
CID 835315
3-methylbenzoic acid
CID 7418
N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylbenzamide;hydrochloride
CID 119599324
N-(azetidin-3-yl)-3-methylbenzamide
CID 66186058
N-(2-bromopropyl)-3-methylbenzamide
CID 114308795
tert-butyl N-[2-[(3-methylbenzoyl)amino]ethyl]carbamate
CID 71248417

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2,2,3-trimethylbutanoyl)benzamide?
The IUPAC name of 3-methyl-N-(2,2,3-trimethylbutanoyl)benzamide (CID 69478861) is 3-methyl-N-(2,2,3-trimethylbutanoyl)benzamide.
What is the SMILES notation for 3-methyl-N-(2,2,3-trimethylbutanoyl)benzamide?
The canonical SMILES for 3-methyl-N-(2,2,3-trimethylbutanoyl)benzamide is Cc1cccc(C(=O)NC(=O)C(C)(C)C(C)C)c1.
What is the InChIKey of 3-methyl-N-(2,2,3-trimethylbutanoyl)benzamide?
The InChIKey is AMGFDEPDBXMYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-10(2)15(4,5)14(18)16-13(17)12-8-6-7-11(3)9-12/h6-10H,1-5H3,(H,16,17,18).
What are the key properties of 3-methyl-N-(2,2,3-trimethylbutanoyl)benzamide?
3-methyl-N-(2,2,3-trimethylbutanoyl)benzamide has a molecular weight of 247.34 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2,2,3-trimethylbutanoyl)benzamide is sourced from PubChem (CID 69478861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).