N-butyl-2-cyano-N-cyclopropyl-2-methylbutanamide

C13H22N2O — CID 114291231

IUPACN-butyl-2-cyano-N-cyclopropyl-2-methylbutanamide
SMILESCCCCN(C(=O)C(C)(C#N)CC)C1CC1
InChIInChI=1S/C13H22N2O/c1-4-6-9-15(11-7-8-11)12(16)13(3,5-2)10-14/h11H,4-9H2,1-3H3
InChIKeyDJBQEUWUIPGTFL-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.72
Rot. Bonds6

About N-butyl-2-cyano-N-cyclopropyl-2-methylbutanamide

N-butyl-2-cyano-N-cyclopropyl-2-methylbutanamide (PubChem CID 114291231) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-butyl-2-cyano-N-cyclopropyl-2-methylbutanamide.

Molecular Properties

Compound NameN-butyl-2-cyano-N-cyclopropyl-2-methylbutanamide
PubChem CID114291231
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-butyl-2-cyano-N-cyclopropyl-2-methylbutanamide
SMILESCCCCN(C(=O)C(C)(C#N)CC)C1CC1
InChIInChI=1S/C13H22N2O/c1-4-6-9-15(11-7-8-11)12(16)13(3,5-2)10-14/h11H,4-9H2,1-3H3
InChIKeyDJBQEUWUIPGTFL-UHFFFAOYSA-N
XLogP2.72
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-butyl-2-cyano-N-cyclopropyl-2-methylbutanamide 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

2-cyano-N-cyclopentyl-2-methyl-N-(3-methylbutyl)butanamide
CID 114291675
N-butyl-2-carbamothioyl-N-cyclopropyl-2-methylbutanamide
CID 114292035
N-butyl-2-cyano-N-cyclopropylacetamide
CID 61443044
tert-butyl N-butyl-N-cyclopropylcarbamate
CID 63788161
2-amino-N-(2-cyanoethyl)-N-cyclopropyl-2-methylbutanamide
CID 79804827
2-amino-N-(2-cyanoethyl)-N-cyclopropyl-2-methylpropanamide
CID 61266827
2-amino-N-butyl-N-cyclopropyl-3-methylbutanamide
CID 60944592
2-cyano-N-ethyl-2-methyl-N-propan-2-ylbutanamide
CID 114291087
3-amino-N-butyl-N-cyclopropylpropanamide
CID 60944847
1-butyl-1,3-dicyclopropylurea
CID 115579407
N-butyl-N-cyclopropylpyrrolidine-1-carboxamide
CID 115579406
N-butyl-N-cyclopropylbut-2-enamide
CID 112726716

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-cyano-N-cyclopropyl-2-methylbutanamide?
The IUPAC name of N-butyl-2-cyano-N-cyclopropyl-2-methylbutanamide (CID 114291231) is N-butyl-2-cyano-N-cyclopropyl-2-methylbutanamide.
What is the SMILES notation for N-butyl-2-cyano-N-cyclopropyl-2-methylbutanamide?
The canonical SMILES for N-butyl-2-cyano-N-cyclopropyl-2-methylbutanamide is CCCCN(C(=O)C(C)(C#N)CC)C1CC1.
What is the InChIKey of N-butyl-2-cyano-N-cyclopropyl-2-methylbutanamide?
The InChIKey is DJBQEUWUIPGTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-6-9-15(11-7-8-11)12(16)13(3,5-2)10-14/h11H,4-9H2,1-3H3.
What are the key properties of N-butyl-2-cyano-N-cyclopropyl-2-methylbutanamide?
N-butyl-2-cyano-N-cyclopropyl-2-methylbutanamide has a molecular weight of 222.33 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-cyano-N-cyclopropyl-2-methylbutanamide is sourced from PubChem (CID 114291231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).