2-cyano-N,N-di(propan-2-yl)benzamide

C14H18N2O — CID 11356680

IUPAC2-cyano-N,N-di(propan-2-yl)benzamide
SMILESCC(C)N(C(=O)c1ccccc1C#N)C(C)C
InChIInChI=1S/C14H18N2O/c1-10(2)16(11(3)4)14(17)13-8-6-5-7-12(13)9-15/h5-8,10-11H,1-4H3
InChIKeyOFKAMPKXCUXJSZ-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.82
Rot. Bonds3

About 2-cyano-N,N-di(propan-2-yl)benzamide

2-cyano-N,N-di(propan-2-yl)benzamide (PubChem CID 11356680) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-cyano-N,N-di(propan-2-yl)benzamide.

Molecular Properties

Compound Name2-cyano-N,N-di(propan-2-yl)benzamide
PubChem CID11356680
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-cyano-N,N-di(propan-2-yl)benzamide
SMILESCC(C)N(C(=O)c1ccccc1C#N)C(C)C
InChIInChI=1S/C14H18N2O/c1-10(2)16(11(3)4)14(17)13-8-6-5-7-12(13)9-15/h5-8,10-11H,1-4H3
InChIKeyOFKAMPKXCUXJSZ-UHFFFAOYSA-N
XLogP2.82
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-cyano-N,N-di(propan-2-yl)benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N,N-di(propan-2-yl)benzamide?
The IUPAC name of 2-cyano-N,N-di(propan-2-yl)benzamide (CID 11356680) is 2-cyano-N,N-di(propan-2-yl)benzamide.
What is the SMILES notation for 2-cyano-N,N-di(propan-2-yl)benzamide?
The canonical SMILES for 2-cyano-N,N-di(propan-2-yl)benzamide is CC(C)N(C(=O)c1ccccc1C#N)C(C)C.
What is the InChIKey of 2-cyano-N,N-di(propan-2-yl)benzamide?
The InChIKey is OFKAMPKXCUXJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10(2)16(11(3)4)14(17)13-8-6-5-7-12(13)9-15/h5-8,10-11H,1-4H3.
What are the key properties of 2-cyano-N,N-di(propan-2-yl)benzamide?
2-cyano-N,N-di(propan-2-yl)benzamide has a molecular weight of 230.31 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N,N-di(propan-2-yl)benzamide is sourced from PubChem (CID 11356680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).