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

C13H22N4O — CID 54988279

IUPACN-(2-cyanoethyl)-3-[2-cyanopropyl(ethyl)amino]-N-methylpropanamide
SMILESCCN(CCC(=O)N(C)CCC#N)CC(C)C#N
InChIInChI=1S/C13H22N4O/c1-4-17(11-12(2)10-15)9-6-13(18)16(3)8-5-7-14/h12H,4-6,8-9,11H2,1-3H3
InChIKeyPKBCMGGQSXSNIE-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.23
Rot. Bonds8

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

N-(2-cyanoethyl)-3-[2-cyanopropyl(ethyl)amino]-N-methylpropanamide (PubChem CID 54988279) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-(2-cyanoethyl)-3-[2-cyanopropyl(ethyl)amino]-N-methylpropanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-3-[2-cyanopropyl(ethyl)amino]-N-methylpropanamide
PubChem CID54988279
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-(2-cyanoethyl)-3-[2-cyanopropyl(ethyl)amino]-N-methylpropanamide
SMILESCCN(CCC(=O)N(C)CCC#N)CC(C)C#N
InChIInChI=1S/C13H22N4O/c1-4-17(11-12(2)10-15)9-6-13(18)16(3)8-5-7-14/h12H,4-6,8-9,11H2,1-3H3
InChIKeyPKBCMGGQSXSNIE-UHFFFAOYSA-N
XLogP1.23
TPSA71.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanoethyl)-2-[2-cyanopropyl(ethyl)amino]-N-methylacetamide
CID 54983448
N-(2-cyanoethyl)-N-methyl-3-[methyl(2-methylpropyl)amino]propanamide
CID 43289053
N-(2-cyanoethyl)-N-methyl-3-[methyl(pentan-3-yl)amino]propanamide
CID 43571057
3-[bis(2-amino-2-oxoethyl)amino]-N-(2-cyanoethyl)-N-methylpropanamide
CID 55157025
N-(2-cyanoethyl)-N-methyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide
CID 112706646
2-[2-cyanopropyl(ethyl)amino]-N,N-dimethylacetamide
CID 61450794
N-(2-cyanoethyl)-2-hydroxy-N-methylacetamide
CID 43289856
N-(2-cyanoethyl)-N-methylpropanamide
CID 21036687
N-(2-cyanoethyl)-3-[cyclopentyl(ethyl)amino]-N-methylpropanamide
CID 43541122
N-(2-cyanoethyl)-3-[2-(dimethylamino)ethyl-methylamino]-N-methylpropanamide
CID 55228110
2-[[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-ethylamino]acetic acid
CID 61012153
N-(2-cyanoethyl)-N-methyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide
CID 81056168

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-3-[2-cyanopropyl(ethyl)amino]-N-methylpropanamide?
The IUPAC name of N-(2-cyanoethyl)-3-[2-cyanopropyl(ethyl)amino]-N-methylpropanamide (CID 54988279) is N-(2-cyanoethyl)-3-[2-cyanopropyl(ethyl)amino]-N-methylpropanamide.
What is the SMILES notation for N-(2-cyanoethyl)-3-[2-cyanopropyl(ethyl)amino]-N-methylpropanamide?
The canonical SMILES for N-(2-cyanoethyl)-3-[2-cyanopropyl(ethyl)amino]-N-methylpropanamide is CCN(CCC(=O)N(C)CCC#N)CC(C)C#N.
What is the InChIKey of N-(2-cyanoethyl)-3-[2-cyanopropyl(ethyl)amino]-N-methylpropanamide?
The InChIKey is PKBCMGGQSXSNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-17(11-12(2)10-15)9-6-13(18)16(3)8-5-7-14/h12H,4-6,8-9,11H2,1-3H3.
What are the key properties of N-(2-cyanoethyl)-3-[2-cyanopropyl(ethyl)amino]-N-methylpropanamide?
N-(2-cyanoethyl)-3-[2-cyanopropyl(ethyl)amino]-N-methylpropanamide has a molecular weight of 250.35 g/mol, XLogP of 1.23, 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-cyanopropyl(ethyl)amino]-N-methylpropanamide is sourced from PubChem (CID 54988279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).