2-[[2-[bis(2-cyanoethyl)amino]-2-oxoethyl]-methylamino]-N-methylacetamide

C12H19N5O2 — CID 78826448

IUPAC2-[[2-[bis(2-cyanoethyl)amino]-2-oxoethyl]-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)CC(=O)N(CCC#N)CCC#N
InChIInChI=1S/C12H19N5O2/c1-15-11(18)9-16(2)10-12(19)17(7-3-5-13)8-4-6-14/h3-4,7-10H2,1-2H3,(H,15,18)
InChIKeyJKBFBTFBZLTSNU-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.68
Rot. Bonds8

About 2-[[2-[bis(2-cyanoethyl)amino]-2-oxoethyl]-methylamino]-N-methylacetamide

2-[[2-[bis(2-cyanoethyl)amino]-2-oxoethyl]-methylamino]-N-methylacetamide (PubChem CID 78826448) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-[[2-[bis(2-cyanoethyl)amino]-2-oxoethyl]-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[2-[bis(2-cyanoethyl)amino]-2-oxoethyl]-methylamino]-N-methylacetamide
PubChem CID78826448
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name2-[[2-[bis(2-cyanoethyl)amino]-2-oxoethyl]-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)CC(=O)N(CCC#N)CCC#N
InChIInChI=1S/C12H19N5O2/c1-15-11(18)9-16(2)10-12(19)17(7-3-5-13)8-4-6-14/h3-4,7-10H2,1-2H3,(H,15,18)
InChIKeyJKBFBTFBZLTSNU-UHFFFAOYSA-N
XLogP-0.68
TPSA100.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[bis(2-cyanoethyl)amino]-2-oxoethyl]-methylamino]-N-methylacetamide?
The IUPAC name of 2-[[2-[bis(2-cyanoethyl)amino]-2-oxoethyl]-methylamino]-N-methylacetamide (CID 78826448) is 2-[[2-[bis(2-cyanoethyl)amino]-2-oxoethyl]-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[[2-[bis(2-cyanoethyl)amino]-2-oxoethyl]-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[[2-[bis(2-cyanoethyl)amino]-2-oxoethyl]-methylamino]-N-methylacetamide is CNC(=O)CN(C)CC(=O)N(CCC#N)CCC#N.
What is the InChIKey of 2-[[2-[bis(2-cyanoethyl)amino]-2-oxoethyl]-methylamino]-N-methylacetamide?
The InChIKey is JKBFBTFBZLTSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-15-11(18)9-16(2)10-12(19)17(7-3-5-13)8-4-6-14/h3-4,7-10H2,1-2H3,(H,15,18).
What are the key properties of 2-[[2-[bis(2-cyanoethyl)amino]-2-oxoethyl]-methylamino]-N-methylacetamide?
2-[[2-[bis(2-cyanoethyl)amino]-2-oxoethyl]-methylamino]-N-methylacetamide has a molecular weight of 265.32 g/mol, XLogP of -0.68, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[bis(2-cyanoethyl)amino]-2-oxoethyl]-methylamino]-N-methylacetamide is sourced from PubChem (CID 78826448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).