2-methyl-3-propylbenzamide

C11H15NO — CID 66693156

IUPAC2-methyl-3-propylbenzamide
SMILESCCCc1cccc(C(N)=O)c1C
InChIInChI=1S/C11H15NO/c1-3-5-9-6-4-7-10(8(9)2)11(12)13/h4,6-7H,3,5H2,1-2H3,(H2,12,13)
InChIKeyJSSMHZIHFAGHQK-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.05
Rot. Bonds3

About 2-methyl-3-propylbenzamide

2-methyl-3-propylbenzamide (PubChem CID 66693156) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-methyl-3-propylbenzamide.

Molecular Properties

Compound Name2-methyl-3-propylbenzamide
PubChem CID66693156
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name2-methyl-3-propylbenzamide
SMILESCCCc1cccc(C(N)=O)c1C
InChIInChI=1S/C11H15NO/c1-3-5-9-6-4-7-10(8(9)2)11(12)13/h4,6-7H,3,5H2,1-2H3,(H2,12,13)
InChIKeyJSSMHZIHFAGHQK-UHFFFAOYSA-N
XLogP2.05
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

bis(2-methyl-3-propylphenyl)methanone
CID 172692899
2-butylbenzamide
CID 15468173
ethyl 2-amino-3-propylbenzoate
CID 60835647
2,3-diethylbenzamide;hydrofluoride
CID 175203586
sodium 3-butyl-2-methylbenzoate
CID 67715535
2,3-dimethylbenzamide;ethane
CID 143389789
2-octylbenzamide
CID 11148995
3-bromo-2-propylbenzamide
CID 69458474
2-propylbenzohydrazide
CID 140653675
2-(1,3-dihydroxypropan-2-yloxy)-3-ethylbenzamide
CID 137390518
3-ethyl-2-methylsulfonylbenzamide;hydrochloride
CID 122516953
carbonic acid;ethyl 2-propylbenzoate
CID 174721035

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-propylbenzamide?
The IUPAC name of 2-methyl-3-propylbenzamide (CID 66693156) is 2-methyl-3-propylbenzamide.
What is the SMILES notation for 2-methyl-3-propylbenzamide?
The canonical SMILES for 2-methyl-3-propylbenzamide is CCCc1cccc(C(N)=O)c1C.
What is the InChIKey of 2-methyl-3-propylbenzamide?
The InChIKey is JSSMHZIHFAGHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-3-5-9-6-4-7-10(8(9)2)11(12)13/h4,6-7H,3,5H2,1-2H3,(H2,12,13).
What are the key properties of 2-methyl-3-propylbenzamide?
2-methyl-3-propylbenzamide has a molecular weight of 177.25 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-propylbenzamide is sourced from PubChem (CID 66693156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).