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

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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).