N-(2-cyanoethyl)-N-methyl-3-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide

C11H20N4O2 — CID 43374873

IUPACN-(2-cyanoethyl)-N-methyl-3-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide
SMILESCNC(=O)CN(C)CCC(=O)N(C)CCC#N
InChIInChI=1S/C11H20N4O2/c1-13-10(16)9-14(2)8-5-11(17)15(3)7-4-6-12/h4-5,7-9H2,1-3H3,(H,13,16)
InChIKeyCYHZABOMCPLOHU-UHFFFAOYSA-N
MW240.31 g/mol
LogP-0.57
Rot. Bonds7

About N-(2-cyanoethyl)-N-methyl-3-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide

N-(2-cyanoethyl)-N-methyl-3-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide (PubChem CID 43374873) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-methyl-3-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-methyl-3-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide
PubChem CID43374873
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC NameN-(2-cyanoethyl)-N-methyl-3-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide
SMILESCNC(=O)CN(C)CCC(=O)N(C)CCC#N
InChIInChI=1S/C11H20N4O2/c1-13-10(16)9-14(2)8-5-11(17)15(3)7-4-6-12/h4-5,7-9H2,1-3H3,(H,13,16)
InChIKeyCYHZABOMCPLOHU-UHFFFAOYSA-N
XLogP-0.57
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanoethyl)-3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-methylpropanamide
CID 55002666
2-[[2-[bis(2-cyanoethyl)amino]-2-oxoethyl]-methylamino]-N-methylacetamide
CID 78826448
N-(2-cyanoethyl)-N-methyl-3-[2-(methylamino)-2-oxoethyl]sulfonylpropanamide
CID 114232257
N-(2-cyanoethyl)-3-[2-(dimethylamino)ethyl-methylamino]-N-methylpropanamide
CID 55228110
N-(2-cyanoethyl)-N-methyl-4-(methylamino)butanamide
CID 60841865
N-(2-cyanoethyl)-N-methyl-3-[methyl(2-methylpropyl)amino]propanamide
CID 43289053
N-(2-cyanoethyl)-2-hydroxy-N-methylacetamide
CID 43289856
3-[bis(2-amino-2-oxoethyl)amino]-N-(2-cyanoethyl)-N-methylpropanamide
CID 55157025
N-(2-cyanoethyl)-3-methoxy-N-methylpropanamide
CID 43289311
N-(2-cyanoethyl)-N-methylpropanamide
CID 21036687
N-(2-cyanoethyl)-N-methyl-3-[methyl(pentan-3-yl)amino]propanamide
CID 43571057
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)-N-methyl-3-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide?
The IUPAC name of N-(2-cyanoethyl)-N-methyl-3-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide (CID 43374873) is N-(2-cyanoethyl)-N-methyl-3-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-methyl-3-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide?
The canonical SMILES for N-(2-cyanoethyl)-N-methyl-3-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide is CNC(=O)CN(C)CCC(=O)N(C)CCC#N.
What is the InChIKey of N-(2-cyanoethyl)-N-methyl-3-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide?
The InChIKey is CYHZABOMCPLOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-13-10(16)9-14(2)8-5-11(17)15(3)7-4-6-12/h4-5,7-9H2,1-3H3,(H,13,16).
What are the key properties of N-(2-cyanoethyl)-N-methyl-3-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide?
N-(2-cyanoethyl)-N-methyl-3-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide has a molecular weight of 240.31 g/mol, XLogP of -0.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-methyl-3-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide is sourced from PubChem (CID 43374873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).