3-[bis(2-amino-2-oxoethyl)amino]-N-(2-cyanoethyl)-N-methylpropanamide

C11H19N5O3 — CID 55157025

IUPAC3-[bis(2-amino-2-oxoethyl)amino]-N-(2-cyanoethyl)-N-methylpropanamide
SMILESCN(CCC#N)C(=O)CCN(CC(N)=O)CC(N)=O
InChIInChI=1S/C11H19N5O3/c1-15(5-2-4-12)11(19)3-6-16(7-9(13)17)8-10(14)18/h2-3,5-8H2,1H3,(H2,13,17)(H2,14,18)
InChIKeyNWLZNCJUTLRHJU-UHFFFAOYSA-N
MW269.30 g/mol
LogP-1.98
Rot. Bonds9

About 3-[bis(2-amino-2-oxoethyl)amino]-N-(2-cyanoethyl)-N-methylpropanamide

3-[bis(2-amino-2-oxoethyl)amino]-N-(2-cyanoethyl)-N-methylpropanamide (PubChem CID 55157025) has the molecular formula C11H19N5O3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-[bis(2-amino-2-oxoethyl)amino]-N-(2-cyanoethyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-[bis(2-amino-2-oxoethyl)amino]-N-(2-cyanoethyl)-N-methylpropanamide
PubChem CID55157025
Molecular FormulaC11H19N5O3
Molecular Weight269.30 g/mol
Exact Mass269.15
IUPAC Name3-[bis(2-amino-2-oxoethyl)amino]-N-(2-cyanoethyl)-N-methylpropanamide
SMILESCN(CCC#N)C(=O)CCN(CC(N)=O)CC(N)=O
InChIInChI=1S/C11H19N5O3/c1-15(5-2-4-12)11(19)3-6-16(7-9(13)17)8-10(14)18/h2-3,5-8H2,1H3,(H2,13,17)(H2,14,18)
InChIKeyNWLZNCJUTLRHJU-UHFFFAOYSA-N
XLogP-1.98
TPSA133.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-1.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanoethyl)-2-hydroxy-N-methylacetamide
CID 43289856
N-(2-cyanoethyl)-3-[2-(dimethylamino)ethyl-methylamino]-N-methylpropanamide
CID 55228110
N-(2-cyanoethyl)-N-methyl-3-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide
CID 43374873
N-(2-cyanoethyl)-N-methyl-3-[methyl(2-methylpropyl)amino]propanamide
CID 43289053
N-(2-cyanoethyl)-3-[2-cyanopropyl(ethyl)amino]-N-methylpropanamide
CID 54988279
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)-3-[2-cyanoethyl(cyclopropyl)amino]-N-methylpropanamide
CID 54996850
5-amino-N-(2-cyanoethyl)-N,4-dimethylpentanamide
CID 82017217
2-[[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107426059
2-[2-cyanoethyl(2-methoxyethyl)amino]acetamide
CID 55137484

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-amino-2-oxoethyl)amino]-N-(2-cyanoethyl)-N-methylpropanamide?
The IUPAC name of 3-[bis(2-amino-2-oxoethyl)amino]-N-(2-cyanoethyl)-N-methylpropanamide (CID 55157025) is 3-[bis(2-amino-2-oxoethyl)amino]-N-(2-cyanoethyl)-N-methylpropanamide.
What is the SMILES notation for 3-[bis(2-amino-2-oxoethyl)amino]-N-(2-cyanoethyl)-N-methylpropanamide?
The canonical SMILES for 3-[bis(2-amino-2-oxoethyl)amino]-N-(2-cyanoethyl)-N-methylpropanamide is CN(CCC#N)C(=O)CCN(CC(N)=O)CC(N)=O.
What is the InChIKey of 3-[bis(2-amino-2-oxoethyl)amino]-N-(2-cyanoethyl)-N-methylpropanamide?
The InChIKey is NWLZNCJUTLRHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3/c1-15(5-2-4-12)11(19)3-6-16(7-9(13)17)8-10(14)18/h2-3,5-8H2,1H3,(H2,13,17)(H2,14,18).
What are the key properties of 3-[bis(2-amino-2-oxoethyl)amino]-N-(2-cyanoethyl)-N-methylpropanamide?
3-[bis(2-amino-2-oxoethyl)amino]-N-(2-cyanoethyl)-N-methylpropanamide has a molecular weight of 269.30 g/mol, XLogP of -1.98, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-amino-2-oxoethyl)amino]-N-(2-cyanoethyl)-N-methylpropanamide is sourced from PubChem (CID 55157025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).