N-(2-cyanoethyl)-3-[cyclopentyl(ethyl)amino]-N-methylpropanamide

C14H25N3O — CID 43541122

IUPACN-(2-cyanoethyl)-3-[cyclopentyl(ethyl)amino]-N-methylpropanamide
SMILESCCN(CCC(=O)N(C)CCC#N)C1CCCC1
InChIInChI=1S/C14H25N3O/c1-3-17(13-7-4-5-8-13)12-9-14(18)16(2)11-6-10-15/h13H,3-9,11-12H2,1-2H3
InChIKeyXNERZHLXGIWWMX-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.01
Rot. Bonds7

About N-(2-cyanoethyl)-3-[cyclopentyl(ethyl)amino]-N-methylpropanamide

N-(2-cyanoethyl)-3-[cyclopentyl(ethyl)amino]-N-methylpropanamide (PubChem CID 43541122) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-(2-cyanoethyl)-3-[cyclopentyl(ethyl)amino]-N-methylpropanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-3-[cyclopentyl(ethyl)amino]-N-methylpropanamide
PubChem CID43541122
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-(2-cyanoethyl)-3-[cyclopentyl(ethyl)amino]-N-methylpropanamide
SMILESCCN(CCC(=O)N(C)CCC#N)C1CCCC1
InChIInChI=1S/C14H25N3O/c1-3-17(13-7-4-5-8-13)12-9-14(18)16(2)11-6-10-15/h13H,3-9,11-12H2,1-2H3
InChIKeyXNERZHLXGIWWMX-UHFFFAOYSA-N
XLogP2.01
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanoethyl)-3-[2-cyanoethyl(cyclopropyl)amino]-N-methylpropanamide
CID 54996850
N-(2-cyanoethyl)-3-[cyclobutyl(3-hydroxypropyl)amino]-N-methylpropanamide
CID 102848562
3-[2-cyanoethyl(cyclopropyl)amino]-N,N-dimethylpropanamide
CID 55149424
N-(2-cyanoethyl)-3-cyclopentylsulfinyl-N-methylpropanamide
CID 64690317
N-(2-cyanoethyl)-N-cyclopentylpentanamide
CID 98014383
N-(2-cyanoethyl)-N-methylpropanamide
CID 21036687
N-(2-cyanoethyl)-2-hydroxy-N-methylacetamide
CID 43289856
N-(2-cyanoethyl)-3-[4-(dimethylamino)piperidin-1-yl]-N-methylpropanamide
CID 43585997
N-(2-cyanoethyl)-3-[2-cyanopropyl(ethyl)amino]-N-methylpropanamide
CID 54988279
N-(2-cyanoethyl)-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N-methylacetamide
CID 55011427
N-(2-cyanoethyl)-N-methyl-3-(2-methylpiperidin-1-yl)propanamide
CID 43288560
N-(2-cyanoethyl)-3-[2-(dimethylamino)ethyl-methylamino]-N-methylpropanamide
CID 55228110

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-3-[cyclopentyl(ethyl)amino]-N-methylpropanamide?
The IUPAC name of N-(2-cyanoethyl)-3-[cyclopentyl(ethyl)amino]-N-methylpropanamide (CID 43541122) is N-(2-cyanoethyl)-3-[cyclopentyl(ethyl)amino]-N-methylpropanamide.
What is the SMILES notation for N-(2-cyanoethyl)-3-[cyclopentyl(ethyl)amino]-N-methylpropanamide?
The canonical SMILES for N-(2-cyanoethyl)-3-[cyclopentyl(ethyl)amino]-N-methylpropanamide is CCN(CCC(=O)N(C)CCC#N)C1CCCC1.
What is the InChIKey of N-(2-cyanoethyl)-3-[cyclopentyl(ethyl)amino]-N-methylpropanamide?
The InChIKey is XNERZHLXGIWWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-3-17(13-7-4-5-8-13)12-9-14(18)16(2)11-6-10-15/h13H,3-9,11-12H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-3-[cyclopentyl(ethyl)amino]-N-methylpropanamide?
N-(2-cyanoethyl)-3-[cyclopentyl(ethyl)amino]-N-methylpropanamide has a molecular weight of 251.37 g/mol, XLogP of 2.01, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-3-[cyclopentyl(ethyl)amino]-N-methylpropanamide is sourced from PubChem (CID 43541122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).