3-methyl-N,4-di(propan-2-yl)benzamide

C14H21NO — CID 59515405

IUPAC3-methyl-N,4-di(propan-2-yl)benzamide
SMILESCc1cc(C(=O)NC(C)C)ccc1C(C)C
InChIInChI=1S/C14H21NO/c1-9(2)13-7-6-12(8-11(13)5)14(16)15-10(3)4/h6-10H,1-5H3,(H,15,16)
InChIKeyKMJFFZBKWUYHNR-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.26
Rot. Bonds3

About 3-methyl-N,4-di(propan-2-yl)benzamide

3-methyl-N,4-di(propan-2-yl)benzamide (PubChem CID 59515405) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-methyl-N,4-di(propan-2-yl)benzamide.

Molecular Properties

Compound Name3-methyl-N,4-di(propan-2-yl)benzamide
PubChem CID59515405
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3-methyl-N,4-di(propan-2-yl)benzamide
SMILESCc1cc(C(=O)NC(C)C)ccc1C(C)C
InChIInChI=1S/C14H21NO/c1-9(2)13-7-6-12(8-11(13)5)14(16)15-10(3)4/h6-10H,1-5H3,(H,15,16)
InChIKeyKMJFFZBKWUYHNR-UHFFFAOYSA-N
XLogP3.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-4-propan-2-ylbenzohydrazide
CID 130427973
N-ethyl-3-methyl-4-propan-2-ylbenzamide
CID 58969990
1-(3-methyl-4-propan-2-ylphenyl)ethanone
CID 89071977
N-cyclobutyl-3-methyl-4-propan-2-ylbenzamide;molecular hydrogen
CID 159338969
4-methoxy-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-methylbenzamide
CID 133217534
4-[[(2S)-2-aminopropanoyl]amino]-3-methyl-N-propan-2-ylbenzamide;hydrochloride
CID 119300417
4-methyl-3-(propanoylamino)-N-propan-2-ylbenzamide
CID 131895786
6-methyl-N,5-di(propan-2-yl)pyridine-3-carboxamide
CID 170617850
N-propan-2-yl-3-propan-2-yloxybenzamide
CID 8779048
4-N-propan-2-yl-1-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109043167
2-(4-chlorophenyl)propan-2-yl 3-methyl-4-propan-2-ylbenzoate
CID 130400032
5-methyl-N-[2-methyl-4-(propan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 86821543

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N,4-di(propan-2-yl)benzamide?
The IUPAC name of 3-methyl-N,4-di(propan-2-yl)benzamide (CID 59515405) is 3-methyl-N,4-di(propan-2-yl)benzamide.
What is the SMILES notation for 3-methyl-N,4-di(propan-2-yl)benzamide?
The canonical SMILES for 3-methyl-N,4-di(propan-2-yl)benzamide is Cc1cc(C(=O)NC(C)C)ccc1C(C)C.
What is the InChIKey of 3-methyl-N,4-di(propan-2-yl)benzamide?
The InChIKey is KMJFFZBKWUYHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-9(2)13-7-6-12(8-11(13)5)14(16)15-10(3)4/h6-10H,1-5H3,(H,15,16).
What are the key properties of 3-methyl-N,4-di(propan-2-yl)benzamide?
3-methyl-N,4-di(propan-2-yl)benzamide has a molecular weight of 219.33 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N,4-di(propan-2-yl)benzamide is sourced from PubChem (CID 59515405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).