3,4-dimethyl-2-propylbenzamide

C12H17NO — CID 154390636

IUPAC3,4-dimethyl-2-propylbenzamide
SMILESCCCc1c(C(N)=O)ccc(C)c1C
InChIInChI=1S/C12H17NO/c1-4-5-10-9(3)8(2)6-7-11(10)12(13)14/h6-7H,4-5H2,1-3H3,(H2,13,14)
InChIKeyYGYHSOGHMPDYFA-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.35
Rot. Bonds3

About 3,4-dimethyl-2-propylbenzamide

3,4-dimethyl-2-propylbenzamide (PubChem CID 154390636) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 3,4-dimethyl-2-propylbenzamide.

Molecular Properties

Compound Name3,4-dimethyl-2-propylbenzamide
PubChem CID154390636
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name3,4-dimethyl-2-propylbenzamide
SMILESCCCc1c(C(N)=O)ccc(C)c1C
InChIInChI=1S/C12H17NO/c1-4-5-10-9(3)8(2)6-7-11(10)12(13)14/h6-7H,4-5H2,1-3H3,(H2,13,14)
InChIKeyYGYHSOGHMPDYFA-UHFFFAOYSA-N
XLogP2.35
TPSA43.09 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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,4-dimethyl-2-propylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-4-methyl-2-propylbenzamide
CID 141280601
2,3-dihexyl-4-methylbenzamide
CID 154326325
2,3,4-trimethylbenzamide;hydrochloride
CID 67157686
3-methyl-4-(3-methylphenoxy)-2-propylbenzamide
CID 158032751
3-bromo-2-propylbenzamide
CID 69458474
3-propylpyridine-2,4-dicarboxamide
CID 141047751
3-fluoro-2,4-dimethylbenzamide
CID 119006165
2-ethyl-3,4-dimethylbenzoic acid
CID 58433951
3-amino-4-methyl-2,5-dipropylbenzamide
CID 87531245
2-methyl-3-propylbenzamide
CID 66693156
2,4,6-trimethyl-3-propylbenzamide
CID 57035510
N-(diaminomethylidene)-4-methyl-3-methylsulfonyl-2-propylbenzamide
CID 18937037

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-2-propylbenzamide?
The IUPAC name of 3,4-dimethyl-2-propylbenzamide (CID 154390636) is 3,4-dimethyl-2-propylbenzamide.
What is the SMILES notation for 3,4-dimethyl-2-propylbenzamide?
The canonical SMILES for 3,4-dimethyl-2-propylbenzamide is CCCc1c(C(N)=O)ccc(C)c1C.
What is the InChIKey of 3,4-dimethyl-2-propylbenzamide?
The InChIKey is YGYHSOGHMPDYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-4-5-10-9(3)8(2)6-7-11(10)12(13)14/h6-7H,4-5H2,1-3H3,(H2,13,14).
What are the key properties of 3,4-dimethyl-2-propylbenzamide?
3,4-dimethyl-2-propylbenzamide has a molecular weight of 191.27 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-2-propylbenzamide is sourced from PubChem (CID 154390636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).