N-(2-cyanoethyl)-2-[2-cyanopropyl(ethyl)amino]-N-methylacetamide

C12H20N4O — CID 54983448

IUPACN-(2-cyanoethyl)-2-[2-cyanopropyl(ethyl)amino]-N-methylacetamide
SMILESCCN(CC(=O)N(C)CCC#N)CC(C)C#N
InChIInChI=1S/C12H20N4O/c1-4-16(9-11(2)8-14)10-12(17)15(3)7-5-6-13/h11H,4-5,7,9-10H2,1-3H3
InChIKeyFFRHNRCSBFTIQL-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.84
Rot. Bonds7

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

N-(2-cyanoethyl)-2-[2-cyanopropyl(ethyl)amino]-N-methylacetamide (PubChem CID 54983448) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-[2-cyanopropyl(ethyl)amino]-N-methylacetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-[2-cyanopropyl(ethyl)amino]-N-methylacetamide
PubChem CID54983448
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-(2-cyanoethyl)-2-[2-cyanopropyl(ethyl)amino]-N-methylacetamide
SMILESCCN(CC(=O)N(C)CCC#N)CC(C)C#N
InChIInChI=1S/C12H20N4O/c1-4-16(9-11(2)8-14)10-12(17)15(3)7-5-6-13/h11H,4-5,7,9-10H2,1-3H3
InChIKeyFFRHNRCSBFTIQL-UHFFFAOYSA-N
XLogP0.84
TPSA71.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanoethyl)-3-[2-cyanopropyl(ethyl)amino]-N-methylpropanamide
CID 54988279
2-[2-cyanopropyl(ethyl)amino]-N,N-dimethylacetamide
CID 61450794
2-[[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-ethylamino]acetic acid
CID 61012153
2-[2-cyanopropyl(ethyl)amino]-N,N-diethylacetamide
CID 60585362
N-benzyl-2-[[(2R)-2-cyanopropyl]-ethylamino]-N-methylacetamide
CID 52747596
N-(2-cyanoethyl)-2-[1-cyanopropan-2-yl(methyl)amino]-N-methylacetamide
CID 55219777
2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-cyanoethyl)-N-methylacetamide
CID 79661823
N-(2-cyanoethyl)-N-methyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]acetamide
CID 112692197
N-(2-cyanoethyl)-N-methylpropanamide
CID 21036687
2-[bis(2-methoxyethyl)amino]-N-(2-cyanoethyl)-N-methylacetamide
CID 60672925
N-(2-cyanoethyl)-2-[cyclopropyl(3-methylbutyl)amino]-N-methylacetamide
CID 113223487
2-[[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107426059

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-[2-cyanopropyl(ethyl)amino]-N-methylacetamide?
The IUPAC name of N-(2-cyanoethyl)-2-[2-cyanopropyl(ethyl)amino]-N-methylacetamide (CID 54983448) is N-(2-cyanoethyl)-2-[2-cyanopropyl(ethyl)amino]-N-methylacetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-[2-cyanopropyl(ethyl)amino]-N-methylacetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-[2-cyanopropyl(ethyl)amino]-N-methylacetamide is CCN(CC(=O)N(C)CCC#N)CC(C)C#N.
What is the InChIKey of N-(2-cyanoethyl)-2-[2-cyanopropyl(ethyl)amino]-N-methylacetamide?
The InChIKey is FFRHNRCSBFTIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-4-16(9-11(2)8-14)10-12(17)15(3)7-5-6-13/h11H,4-5,7,9-10H2,1-3H3.
What are the key properties of N-(2-cyanoethyl)-2-[2-cyanopropyl(ethyl)amino]-N-methylacetamide?
N-(2-cyanoethyl)-2-[2-cyanopropyl(ethyl)amino]-N-methylacetamide has a molecular weight of 236.32 g/mol, XLogP of 0.84, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-[2-cyanopropyl(ethyl)amino]-N-methylacetamide is sourced from PubChem (CID 54983448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).