N-(2-cyanoethyl)-3-[2-cyanoethyl(cyclopropyl)amino]-N-methylpropanamide

C13H20N4O — CID 54996850

IUPACN-(2-cyanoethyl)-3-[2-cyanoethyl(cyclopropyl)amino]-N-methylpropanamide
SMILESCN(CCC#N)C(=O)CCN(CCC#N)C1CC1
InChIInChI=1S/C13H20N4O/c1-16(9-2-7-14)13(18)6-11-17(10-3-8-15)12-4-5-12/h12H,2-6,9-11H2,1H3
InChIKeyBRNXKXZWZSCKQB-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.13
Rot. Bonds8

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

N-(2-cyanoethyl)-3-[2-cyanoethyl(cyclopropyl)amino]-N-methylpropanamide (PubChem CID 54996850) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(2-cyanoethyl)-3-[2-cyanoethyl(cyclopropyl)amino]-N-methylpropanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-3-[2-cyanoethyl(cyclopropyl)amino]-N-methylpropanamide
PubChem CID54996850
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-(2-cyanoethyl)-3-[2-cyanoethyl(cyclopropyl)amino]-N-methylpropanamide
SMILESCN(CCC#N)C(=O)CCN(CCC#N)C1CC1
InChIInChI=1S/C13H20N4O/c1-16(9-2-7-14)13(18)6-11-17(10-3-8-15)12-4-5-12/h12H,2-6,9-11H2,1H3
InChIKeyBRNXKXZWZSCKQB-UHFFFAOYSA-N
XLogP1.13
TPSA71.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-cyanoethyl(cyclopropyl)amino]-N,N-dimethylpropanamide
CID 55149424
N-(2-cyanoethyl)-3-[cyclobutyl(3-hydroxypropyl)amino]-N-methylpropanamide
CID 102848562
N-(2-cyanoethyl)-3-[cyclopentyl(ethyl)amino]-N-methylpropanamide
CID 43541122
N-(2-cyanoethyl)-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N-methylacetamide
CID 55011427
N-(2-cyanoethyl)-2-[cyclopropyl(3-methylbutyl)amino]-N-methylacetamide
CID 113223487
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-(dimethylamino)ethyl-methylamino]-N-methylpropanamide
CID 55228110
N-(2-cyanoethyl)-3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-methylpropanamide
CID 55002666
N-(2-cyanoethyl)-N-methyl-3-[methyl(2-methylpropyl)amino]propanamide
CID 43289053
N-(2-cyanoethyl)-3-cyclopentylsulfinyl-N-methylpropanamide
CID 64690317
3-[cyclopropyl(5-hydroxypentyl)amino]propanenitrile
CID 62229709

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-3-[2-cyanoethyl(cyclopropyl)amino]-N-methylpropanamide?
The IUPAC name of N-(2-cyanoethyl)-3-[2-cyanoethyl(cyclopropyl)amino]-N-methylpropanamide (CID 54996850) is N-(2-cyanoethyl)-3-[2-cyanoethyl(cyclopropyl)amino]-N-methylpropanamide.
What is the SMILES notation for N-(2-cyanoethyl)-3-[2-cyanoethyl(cyclopropyl)amino]-N-methylpropanamide?
The canonical SMILES for N-(2-cyanoethyl)-3-[2-cyanoethyl(cyclopropyl)amino]-N-methylpropanamide is CN(CCC#N)C(=O)CCN(CCC#N)C1CC1.
What is the InChIKey of N-(2-cyanoethyl)-3-[2-cyanoethyl(cyclopropyl)amino]-N-methylpropanamide?
The InChIKey is BRNXKXZWZSCKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-16(9-2-7-14)13(18)6-11-17(10-3-8-15)12-4-5-12/h12H,2-6,9-11H2,1H3.
What are the key properties of N-(2-cyanoethyl)-3-[2-cyanoethyl(cyclopropyl)amino]-N-methylpropanamide?
N-(2-cyanoethyl)-3-[2-cyanoethyl(cyclopropyl)amino]-N-methylpropanamide has a molecular weight of 248.33 g/mol, XLogP of 1.13, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-3-[2-cyanoethyl(cyclopropyl)amino]-N-methylpropanamide is sourced from PubChem (CID 54996850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).