N-(2-cyanoethyl)-2-[1-cyanopropan-2-yl(methyl)amino]-N-methylacetamide

C11H18N4O — CID 55219777

IUPACN-(2-cyanoethyl)-2-[1-cyanopropan-2-yl(methyl)amino]-N-methylacetamide
SMILESCC(CC#N)N(C)CC(=O)N(C)CCC#N
InChIInChI=1S/C11H18N4O/c1-10(5-7-13)15(3)9-11(16)14(2)8-4-6-12/h10H,4-5,8-9H2,1-3H3
InChIKeyRKRGGPDYFULMPP-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.59
Rot. Bonds6

About N-(2-cyanoethyl)-2-[1-cyanopropan-2-yl(methyl)amino]-N-methylacetamide

N-(2-cyanoethyl)-2-[1-cyanopropan-2-yl(methyl)amino]-N-methylacetamide (PubChem CID 55219777) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-[1-cyanopropan-2-yl(methyl)amino]-N-methylacetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-[1-cyanopropan-2-yl(methyl)amino]-N-methylacetamide
PubChem CID55219777
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN-(2-cyanoethyl)-2-[1-cyanopropan-2-yl(methyl)amino]-N-methylacetamide
SMILESCC(CC#N)N(C)CC(=O)N(C)CCC#N
InChIInChI=1S/C11H18N4O/c1-10(5-7-13)15(3)9-11(16)14(2)8-4-6-12/h10H,4-5,8-9H2,1-3H3
InChIKeyRKRGGPDYFULMPP-UHFFFAOYSA-N
XLogP0.59
TPSA71.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanoethyl)-N-methyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]acetamide
CID 112692197
N-(2-cyanoethyl)-N-methylpropanamide
CID 21036687
3-[methyl(2-oxobutyl)amino]butanenitrile
CID 63223260
N-(2-cyanoethyl)-2-[2-cyanopropyl(ethyl)amino]-N-methylacetamide
CID 54983448
N-(2-cyanoethyl)-2-hydroxy-N-methylacetamide
CID 43289856
N-(2-cyanoethyl)-N-methyl-3-[methyl(pentan-3-yl)amino]propanamide
CID 43571057
2-[[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-ethylamino]acetic acid
CID 61012153
N-(2-cyanoethyl)-N-methyl-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide
CID 112706646
4-[[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-propan-2-ylamino]butanoic acid
CID 54925440
2-[1-(2-chlorophenyl)ethyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide
CID 60965369
N-(2-cyanoethyl)-N-methyl-3-[methyl(2-methylpropyl)amino]propanamide
CID 43289053
N-(2-cyanoethyl)-N-methyl-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide
CID 55412917

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-[1-cyanopropan-2-yl(methyl)amino]-N-methylacetamide?
The IUPAC name of N-(2-cyanoethyl)-2-[1-cyanopropan-2-yl(methyl)amino]-N-methylacetamide (CID 55219777) is N-(2-cyanoethyl)-2-[1-cyanopropan-2-yl(methyl)amino]-N-methylacetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-[1-cyanopropan-2-yl(methyl)amino]-N-methylacetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-[1-cyanopropan-2-yl(methyl)amino]-N-methylacetamide is CC(CC#N)N(C)CC(=O)N(C)CCC#N.
What is the InChIKey of N-(2-cyanoethyl)-2-[1-cyanopropan-2-yl(methyl)amino]-N-methylacetamide?
The InChIKey is RKRGGPDYFULMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-10(5-7-13)15(3)9-11(16)14(2)8-4-6-12/h10H,4-5,8-9H2,1-3H3.
What are the key properties of N-(2-cyanoethyl)-2-[1-cyanopropan-2-yl(methyl)amino]-N-methylacetamide?
N-(2-cyanoethyl)-2-[1-cyanopropan-2-yl(methyl)amino]-N-methylacetamide has a molecular weight of 222.29 g/mol, XLogP of 0.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-[1-cyanopropan-2-yl(methyl)amino]-N-methylacetamide is sourced from PubChem (CID 55219777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).