N-methyl-3-(2-propan-2-ylphenyl)benzamide

C17H19NO — CID 142590167

IUPACN-methyl-3-(2-propan-2-ylphenyl)benzamide
SMILESCNC(=O)c1cccc(-c2ccccc2C(C)C)c1
InChIInChI=1S/C17H19NO/c1-12(2)15-9-4-5-10-16(15)13-7-6-8-14(11-13)17(19)18-3/h4-12H,1-3H3,(H,18,19)
InChIKeyQZJPNEQIBGTZHF-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.84
Rot. Bonds3

About N-methyl-3-(2-propan-2-ylphenyl)benzamide

N-methyl-3-(2-propan-2-ylphenyl)benzamide (PubChem CID 142590167) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is N-methyl-3-(2-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound NameN-methyl-3-(2-propan-2-ylphenyl)benzamide
PubChem CID142590167
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC NameN-methyl-3-(2-propan-2-ylphenyl)benzamide
SMILESCNC(=O)c1cccc(-c2ccccc2C(C)C)c1
InChIInChI=1S/C17H19NO/c1-12(2)15-9-4-5-10-16(15)13-7-6-8-14(11-13)17(19)18-3/h4-12H,1-3H3,(H,18,19)
InChIKeyQZJPNEQIBGTZHF-UHFFFAOYSA-N
XLogP3.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

bis(1,4-dimethyl-2-(2-propan-2-ylphenyl)benzene);1-methyl-3-nitro-5-(2-propan-2-ylphenyl)benzene;methyl 3-nitro-5-(2-propan-2-ylphenyl)benzoate;N-methyl-3-(2-propan-2-ylphenyl)benzamide;bis(1-methyl-3-(2-propan-2-ylphenyl)benzene)
CID 158942741
2-fluoro-6-[3-(methylcarbamoyl)phenyl]benzoic acid
CID 53227063
3-hydroxy-4-[3-(methylcarbamoyl)phenyl]benzoic acid
CID 53227053
N-benzyl-2-[3-(methylcarbamoyl)phenyl]benzamide
CID 171673970
3-[1-(2-chlorophenyl)ethylamino]-N-methylbenzamide
CID 43181477
methyl 3-methyl-5-(2-propan-2-ylphenyl)benzoate
CID 70085753
ethane;N-methylbenzamide;2-methylpropane
CID 161462553
3-(3-hydroxy-2-pyridinyl)-N-methylbenzamide
CID 53217910
ethane;1-phenyl-2-propan-2-ylbenzene
CID 161308506
N-methylbenzamide
CID 11954
1,1,1-trifluoro-N-[3-(2-propan-2-ylphenyl)phenyl]methanesulfonamide
CID 142590107
3-(4-chloro-2,6-dimethylphenyl)-N-methylbenzamide
CID 69438870

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-propan-2-ylphenyl)benzamide?
The IUPAC name of N-methyl-3-(2-propan-2-ylphenyl)benzamide (CID 142590167) is N-methyl-3-(2-propan-2-ylphenyl)benzamide.
What is the SMILES notation for N-methyl-3-(2-propan-2-ylphenyl)benzamide?
The canonical SMILES for N-methyl-3-(2-propan-2-ylphenyl)benzamide is CNC(=O)c1cccc(-c2ccccc2C(C)C)c1.
What is the InChIKey of N-methyl-3-(2-propan-2-ylphenyl)benzamide?
The InChIKey is QZJPNEQIBGTZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-12(2)15-9-4-5-10-16(15)13-7-6-8-14(11-13)17(19)18-3/h4-12H,1-3H3,(H,18,19).
What are the key properties of N-methyl-3-(2-propan-2-ylphenyl)benzamide?
N-methyl-3-(2-propan-2-ylphenyl)benzamide has a molecular weight of 253.34 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 142590167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).