N-(2-cyanoethyl)-3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-methylpropanamide

C13H22N4O2 — CID 55002666

IUPACN-(2-cyanoethyl)-3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-methylpropanamide
SMILESCN(CCC(=O)N(C)CCC#N)CC(=O)NC1CC1
InChIInChI=1S/C13H22N4O2/c1-16(10-12(18)15-11-4-5-11)9-6-13(19)17(2)8-3-7-14/h11H,3-6,8-10H2,1-2H3,(H,15,18)
InChIKeyNRFJLHLGWGRQEF-UHFFFAOYSA-N
MW266.34 g/mol
LogP-0.04
Rot. Bonds8

About N-(2-cyanoethyl)-3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-methylpropanamide

N-(2-cyanoethyl)-3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-methylpropanamide (PubChem CID 55002666) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(2-cyanoethyl)-3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-methylpropanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-methylpropanamide
PubChem CID55002666
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN-(2-cyanoethyl)-3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-methylpropanamide
SMILESCN(CCC(=O)N(C)CCC#N)CC(=O)NC1CC1
InChIInChI=1S/C13H22N4O2/c1-16(10-12(18)15-11-4-5-11)9-6-13(19)17(2)8-3-7-14/h11H,3-6,8-10H2,1-2H3,(H,15,18)
InChIKeyNRFJLHLGWGRQEF-UHFFFAOYSA-N
XLogP-0.04
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-cyanoethyl)-3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-methylpropanamide 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

N-(2-cyanoethyl)-N-methyl-3-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide
CID 43374873
2-[cyanomethyl(methyl)amino]-N-cyclopropylacetamide
CID 60677002
3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]propanamide
CID 60700103
N-(2-cyanoethyl)-3-[2-cyanoethyl(cyclopropyl)amino]-N-methylpropanamide
CID 54996850
N-(2-cyanoethyl)-3-[2-(dimethylamino)ethyl-methylamino]-N-methylpropanamide
CID 55228110
N-(2-cyanoethyl)-N-methyl-3-[methyl(2-methylpropyl)amino]propanamide
CID 43289053
3-[[2-(cyclohexylamino)-2-oxoethyl]-methylamino]propanoic acid
CID 60986544
N-(2-cyanoethyl)-2-hydroxy-N-methylacetamide
CID 43289856
N-(2-cyanoethyl)-3-[cyclopentyl(ethyl)amino]-N-methylpropanamide
CID 43541122
2-[2-cyanoethyl(ethyl)amino]-N-cyclohexylacetamide
CID 54992919
3-[bis(2-amino-2-oxoethyl)amino]-N-(2-cyanoethyl)-N-methylpropanamide
CID 55157025
N-cyclopropyl-2-[methyl(prop-2-ynyl)amino]acetamide
CID 60670124

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-methylpropanamide?
The IUPAC name of N-(2-cyanoethyl)-3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-methylpropanamide (CID 55002666) is N-(2-cyanoethyl)-3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-methylpropanamide.
What is the SMILES notation for N-(2-cyanoethyl)-3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-methylpropanamide?
The canonical SMILES for N-(2-cyanoethyl)-3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-methylpropanamide is CN(CCC(=O)N(C)CCC#N)CC(=O)NC1CC1.
What is the InChIKey of N-(2-cyanoethyl)-3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-methylpropanamide?
The InChIKey is NRFJLHLGWGRQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-16(10-12(18)15-11-4-5-11)9-6-13(19)17(2)8-3-7-14/h11H,3-6,8-10H2,1-2H3,(H,15,18).
What are the key properties of N-(2-cyanoethyl)-3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-methylpropanamide?
N-(2-cyanoethyl)-3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-methylpropanamide has a molecular weight of 266.34 g/mol, XLogP of -0.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-methylpropanamide is sourced from PubChem (CID 55002666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).