N-(1-cyano-2,2-dimethylcyclopropyl)-2-hydroxy-3,4-dimethylbenzamide

C15H18N2O2 — CID 136544442

IUPACN-(1-cyano-2,2-dimethylcyclopropyl)-2-hydroxy-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NC2(C#N)CC2(C)C)c(O)c1C
InChIInChI=1S/C15H18N2O2/c1-9-5-6-11(12(18)10(9)2)13(19)17-15(8-16)7-14(15,3)4/h5-6,18H,7H2,1-4H3,(H,17,19)
InChIKeyWBZDFUVSOGCOBL-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.43
Rot. Bonds2

About N-(1-cyano-2,2-dimethylcyclopropyl)-2-hydroxy-3,4-dimethylbenzamide

N-(1-cyano-2,2-dimethylcyclopropyl)-2-hydroxy-3,4-dimethylbenzamide (PubChem CID 136544442) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(1-cyano-2,2-dimethylcyclopropyl)-2-hydroxy-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(1-cyano-2,2-dimethylcyclopropyl)-2-hydroxy-3,4-dimethylbenzamide
PubChem CID136544442
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-(1-cyano-2,2-dimethylcyclopropyl)-2-hydroxy-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NC2(C#N)CC2(C)C)c(O)c1C
InChIInChI=1S/C15H18N2O2/c1-9-5-6-11(12(18)10(9)2)13(19)17-15(8-16)7-14(15,3)4/h5-6,18H,7H2,1-4H3,(H,17,19)
InChIKeyWBZDFUVSOGCOBL-UHFFFAOYSA-N
XLogP2.43
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-cyano-2,2-dimethylcyclopropyl)-2-hydroxy-3,4-dimethylbenzamide 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 N-(1-cyano-2,2-dimethylcyclopropyl)-2-hydroxy-3,4-dimethylbenzamide?
The IUPAC name of N-(1-cyano-2,2-dimethylcyclopropyl)-2-hydroxy-3,4-dimethylbenzamide (CID 136544442) is N-(1-cyano-2,2-dimethylcyclopropyl)-2-hydroxy-3,4-dimethylbenzamide.
What is the SMILES notation for N-(1-cyano-2,2-dimethylcyclopropyl)-2-hydroxy-3,4-dimethylbenzamide?
The canonical SMILES for N-(1-cyano-2,2-dimethylcyclopropyl)-2-hydroxy-3,4-dimethylbenzamide is Cc1ccc(C(=O)NC2(C#N)CC2(C)C)c(O)c1C.
What is the InChIKey of N-(1-cyano-2,2-dimethylcyclopropyl)-2-hydroxy-3,4-dimethylbenzamide?
The InChIKey is WBZDFUVSOGCOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-9-5-6-11(12(18)10(9)2)13(19)17-15(8-16)7-14(15,3)4/h5-6,18H,7H2,1-4H3,(H,17,19).
What are the key properties of N-(1-cyano-2,2-dimethylcyclopropyl)-2-hydroxy-3,4-dimethylbenzamide?
N-(1-cyano-2,2-dimethylcyclopropyl)-2-hydroxy-3,4-dimethylbenzamide has a molecular weight of 258.32 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-2,2-dimethylcyclopropyl)-2-hydroxy-3,4-dimethylbenzamide is sourced from PubChem (CID 136544442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).