2-[2-cyanoethyl(propan-2-yl)amino]-N-cyclohexylpropanamide

C15H27N3O — CID 54996933

IUPAC2-[2-cyanoethyl(propan-2-yl)amino]-N-cyclohexylpropanamide
SMILESCC(C)N(CCC#N)C(C)C(=O)NC1CCCCC1
InChIInChI=1S/C15H27N3O/c1-12(2)18(11-7-10-16)13(3)15(19)17-14-8-5-4-6-9-14/h12-14H,4-9,11H2,1-3H3,(H,17,19)
InChIKeyYCCNOOZBBMTHNH-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.45
Rot. Bonds6

About 2-[2-cyanoethyl(propan-2-yl)amino]-N-cyclohexylpropanamide

2-[2-cyanoethyl(propan-2-yl)amino]-N-cyclohexylpropanamide (PubChem CID 54996933) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-[2-cyanoethyl(propan-2-yl)amino]-N-cyclohexylpropanamide.

Molecular Properties

Compound Name2-[2-cyanoethyl(propan-2-yl)amino]-N-cyclohexylpropanamide
PubChem CID54996933
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-[2-cyanoethyl(propan-2-yl)amino]-N-cyclohexylpropanamide
SMILESCC(C)N(CCC#N)C(C)C(=O)NC1CCCCC1
InChIInChI=1S/C15H27N3O/c1-12(2)18(11-7-10-16)13(3)15(19)17-14-8-5-4-6-9-14/h12-14H,4-9,11H2,1-3H3,(H,17,19)
InChIKeyYCCNOOZBBMTHNH-UHFFFAOYSA-N
XLogP2.45
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-cyanoethyl(propan-2-yl)amino]-N-cyclohexylpropanamide 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

1-(2-cyanoethyl)-3-cyclohexyl-1-propan-2-ylurea
CID 54949286
2-[2-aminoethyl(propan-2-yl)amino]-N-cyclopropylpropanamide
CID 61350106
1-(2-cyanoethyl)-1-[2-[2-cyanoethyl(cyclohexylcarbamoyl)amino]ethyl]-3-cyclohexylurea
CID 4134451
2-[2-cyanoethyl(ethyl)amino]-N-cyclohexylacetamide
CID 54992919
1-cyclohexyl-3-[2-[di(propan-2-yl)amino]ethyl]urea
CID 115569818
N-cyclohexyl-2-[3-hydroxybutyl(methyl)amino]propanamide
CID 111496931
N-cyclohexyl-2-silylpropanamide
CID 123581134
3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-methylamino]propanoic acid
CID 60987133
2-[2-aminoethyl(cyclobutyl)amino]-N-cyclohexylpropanamide
CID 102875118
2-[carboxymethyl-[1-(cyclopentylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 55244223
[[2-cyanoethyl(methyl)sulfamoyl]amino]cyclohexane
CID 35326787
methyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]-methylamino]acetate
CID 60670343

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyanoethyl(propan-2-yl)amino]-N-cyclohexylpropanamide?
The IUPAC name of 2-[2-cyanoethyl(propan-2-yl)amino]-N-cyclohexylpropanamide (CID 54996933) is 2-[2-cyanoethyl(propan-2-yl)amino]-N-cyclohexylpropanamide.
What is the SMILES notation for 2-[2-cyanoethyl(propan-2-yl)amino]-N-cyclohexylpropanamide?
The canonical SMILES for 2-[2-cyanoethyl(propan-2-yl)amino]-N-cyclohexylpropanamide is CC(C)N(CCC#N)C(C)C(=O)NC1CCCCC1.
What is the InChIKey of 2-[2-cyanoethyl(propan-2-yl)amino]-N-cyclohexylpropanamide?
The InChIKey is YCCNOOZBBMTHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-12(2)18(11-7-10-16)13(3)15(19)17-14-8-5-4-6-9-14/h12-14H,4-9,11H2,1-3H3,(H,17,19).
What are the key properties of 2-[2-cyanoethyl(propan-2-yl)amino]-N-cyclohexylpropanamide?
2-[2-cyanoethyl(propan-2-yl)amino]-N-cyclohexylpropanamide has a molecular weight of 265.40 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyanoethyl(propan-2-yl)amino]-N-cyclohexylpropanamide is sourced from PubChem (CID 54996933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).