3-methyl-N-(2-methylpropyl)benzamide

C12H17NO — CID 835315

IUPAC3-methyl-N-(2-methylpropyl)benzamide
SMILESCc1cccc(C(=O)NCC(C)C)c1
InChIInChI=1S/C12H17NO/c1-9(2)8-13-12(14)11-6-4-5-10(3)7-11/h4-7,9H,8H2,1-3H3,(H,13,14)
InChIKeyNIHPGNMGODURLK-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.38
Rot. Bonds3

About 3-methyl-N-(2-methylpropyl)benzamide

3-methyl-N-(2-methylpropyl)benzamide (PubChem CID 835315) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 3-methyl-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-methyl-N-(2-methylpropyl)benzamide
PubChem CID835315
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name3-methyl-N-(2-methylpropyl)benzamide
SMILESCc1cccc(C(=O)NCC(C)C)c1
InChIInChI=1S/C12H17NO/c1-9(2)8-13-12(14)11-6-4-5-10(3)7-11/h4-7,9H,8H2,1-3H3,(H,13,14)
InChIKeyNIHPGNMGODURLK-UHFFFAOYSA-N
XLogP2.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bromopropyl)-3-methylbenzamide
CID 114308795
3-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102915094
N-(2-aminopropyl)-3-methylbenzamide
CID 63733332
N-[(2S)-2,3-dihydroxypropyl]-3-methylbenzamide
CID 40653428
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-methylbenzamide
CID 62666890
N,3-bis(2-methylpropyl)benzamide
CID 176945198
methyl 3-(2-methylpropylcarbamoyl)benzoate
CID 108786629
methyl 2-iodo-3-[(3-methylbenzoyl)amino]propanoate
CID 103493403
N-(2-amino-3-ethylpentyl)-3-methylbenzamide
CID 106286438
N-(2-amino-2-cyclopropylethyl)-3-methylbenzamide
CID 63765168
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-methylbenzamide
CID 2421982
(E)-3-[3-(2-methylpropylcarbamoyl)phenyl]prop-2-enoic acid
CID 94231050

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylpropyl)benzamide?
The IUPAC name of 3-methyl-N-(2-methylpropyl)benzamide (CID 835315) is 3-methyl-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 3-methyl-N-(2-methylpropyl)benzamide?
The canonical SMILES for 3-methyl-N-(2-methylpropyl)benzamide is Cc1cccc(C(=O)NCC(C)C)c1.
What is the InChIKey of 3-methyl-N-(2-methylpropyl)benzamide?
The InChIKey is NIHPGNMGODURLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9(2)8-13-12(14)11-6-4-5-10(3)7-11/h4-7,9H,8H2,1-3H3,(H,13,14).
What are the key properties of 3-methyl-N-(2-methylpropyl)benzamide?
3-methyl-N-(2-methylpropyl)benzamide has a molecular weight of 191.27 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 835315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).