4-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-N-methylmorpholine-3-carboxamide

C12H20N4O3 — CID 83097301

IUPAC4-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1CC(=O)N(C)CCC#N
InChIInChI=1S/C12H20N4O3/c1-14-12(18)10-9-19-7-6-16(10)8-11(17)15(2)5-3-4-13/h10H,3,5-9H2,1-2H3,(H,14,18)
InChIKeyIEUNJJQKNCJUOS-UHFFFAOYSA-N
MW268.32 g/mol
LogP-1.19
Rot. Bonds5

About 4-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-N-methylmorpholine-3-carboxamide

4-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-N-methylmorpholine-3-carboxamide (PubChem CID 83097301) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-N-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-N-methylmorpholine-3-carboxamide
PubChem CID83097301
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name4-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1CC(=O)N(C)CCC#N
InChIInChI=1S/C12H20N4O3/c1-14-12(18)10-9-19-7-6-16(10)8-11(17)15(2)5-3-4-13/h10H,3,5-9H2,1-2H3,(H,14,18)
InChIKeyIEUNJJQKNCJUOS-UHFFFAOYSA-N
XLogP-1.19
TPSA85.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-1.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[3-aminopropyl(methyl)amino]-2-oxoethyl]-N-ethylmorpholine-3-carboxamide
CID 83106514
(3S)-4-ethyl-N-methylmorpholine-3-carboxamide
CID 99978843
methyl 4-[2-[3-aminopropyl(methyl)amino]-2-oxoethyl]morpholine-3-carboxylate
CID 104774499
(2S)-1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-N-phenylpyrrolidine-2-carboxamide
CID 94800274
N-(2-cyanoethyl)-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-methylacetamide
CID 56501336
potassium trifluoro-[[3-(methylcarbamoyl)morpholin-4-yl]methyl]boranuide
CID 83104353
methyl 4-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]morpholine-3-carboxylate
CID 115752681
4-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83102810
methyl (3R)-4-(2-cyanoethyl)morpholine-3-carboxylate
CID 97300104
4-[2-(3-bromothiophen-2-yl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83103244
1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63032762
4-[2-(2-chlorophenyl)-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83103176

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-N-methylmorpholine-3-carboxamide?
The IUPAC name of 4-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-N-methylmorpholine-3-carboxamide (CID 83097301) is 4-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-N-methylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-N-methylmorpholine-3-carboxamide?
The canonical SMILES for 4-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-N-methylmorpholine-3-carboxamide is CNC(=O)C1COCCN1CC(=O)N(C)CCC#N.
What is the InChIKey of 4-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-N-methylmorpholine-3-carboxamide?
The InChIKey is IEUNJJQKNCJUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-14-12(18)10-9-19-7-6-16(10)8-11(17)15(2)5-3-4-13/h10H,3,5-9H2,1-2H3,(H,14,18).
What are the key properties of 4-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-N-methylmorpholine-3-carboxamide?
4-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-N-methylmorpholine-3-carboxamide has a molecular weight of 268.32 g/mol, XLogP of -1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-N-methylmorpholine-3-carboxamide is sourced from PubChem (CID 83097301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).