4-[2-(2-aminoethylamino)-2-oxoethyl]-N-propylmorpholine-3-carboxamide

C12H24N4O3 — CID 83106517

IUPAC4-[2-(2-aminoethylamino)-2-oxoethyl]-N-propylmorpholine-3-carboxamide
SMILESCCCNC(=O)C1COCCN1CC(=O)NCCN
InChIInChI=1S/C12H24N4O3/c1-2-4-15-12(18)10-9-19-7-6-16(10)8-11(17)14-5-3-13/h10H,2-9,13H2,1H3,(H,14,17)(H,15,18)
InChIKeyGNPMXHHAZVTKQY-UHFFFAOYSA-N
MW272.35 g/mol
LogP-1.71
Rot. Bonds7

About 4-[2-(2-aminoethylamino)-2-oxoethyl]-N-propylmorpholine-3-carboxamide

4-[2-(2-aminoethylamino)-2-oxoethyl]-N-propylmorpholine-3-carboxamide (PubChem CID 83106517) has the molecular formula C12H24N4O3 and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-[2-(2-aminoethylamino)-2-oxoethyl]-N-propylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[2-(2-aminoethylamino)-2-oxoethyl]-N-propylmorpholine-3-carboxamide
PubChem CID83106517
Molecular FormulaC12H24N4O3
Molecular Weight272.35 g/mol
Exact Mass272.18
IUPAC Name4-[2-(2-aminoethylamino)-2-oxoethyl]-N-propylmorpholine-3-carboxamide
SMILESCCCNC(=O)C1COCCN1CC(=O)NCCN
InChIInChI=1S/C12H24N4O3/c1-2-4-15-12(18)10-9-19-7-6-16(10)8-11(17)14-5-3-13/h10H,2-9,13H2,1H3,(H,14,17)(H,15,18)
InChIKeyGNPMXHHAZVTKQY-UHFFFAOYSA-N
XLogP-1.71
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 5-1.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-oxo-2-(oxolan-3-yl)ethyl]-N-propylmorpholine-3-carboxamide
CID 104751044
4-(2-cyclopentyl-2-oxoethyl)-N-propylmorpholine-3-carboxamide
CID 104751046
4-(3-aminopropanoyl)-N-propylmorpholine-3-carboxamide
CID 83106811
methyl 4-[2-(butylamino)-2-oxoethyl]morpholine-3-carboxylate
CID 113247741
4-[3-(propylcarbamoyl)morpholin-4-yl]butanoic acid
CID 83102944
3-N-propylmorpholine-3,4-dicarboxamide
CID 83106321
4-[(4-aminophenyl)methyl]-N-propylmorpholine-3-carboxamide
CID 83106227
4-[2-[3-aminopropyl(methyl)amino]-2-oxoethyl]-N-ethylmorpholine-3-carboxamide
CID 83106514
N-ethyl-4-(2-oxopropyl)morpholine-3-carboxamide
CID 83103810
methyl 4-[2-oxo-2-(propylcarbamoylamino)ethyl]morpholine-3-carboxylate
CID 115670460
4-[2-(2-aminoethoxy)acetyl]-N-propylmorpholine-3-carboxamide
CID 83098648
3-amino-2-[3-(propylcarbamoyl)morpholin-4-yl]propanoic acid
CID 114242234

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-aminoethylamino)-2-oxoethyl]-N-propylmorpholine-3-carboxamide?
The IUPAC name of 4-[2-(2-aminoethylamino)-2-oxoethyl]-N-propylmorpholine-3-carboxamide (CID 83106517) is 4-[2-(2-aminoethylamino)-2-oxoethyl]-N-propylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[2-(2-aminoethylamino)-2-oxoethyl]-N-propylmorpholine-3-carboxamide?
The canonical SMILES for 4-[2-(2-aminoethylamino)-2-oxoethyl]-N-propylmorpholine-3-carboxamide is CCCNC(=O)C1COCCN1CC(=O)NCCN.
What is the InChIKey of 4-[2-(2-aminoethylamino)-2-oxoethyl]-N-propylmorpholine-3-carboxamide?
The InChIKey is GNPMXHHAZVTKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O3/c1-2-4-15-12(18)10-9-19-7-6-16(10)8-11(17)14-5-3-13/h10H,2-9,13H2,1H3,(H,14,17)(H,15,18).
What are the key properties of 4-[2-(2-aminoethylamino)-2-oxoethyl]-N-propylmorpholine-3-carboxamide?
4-[2-(2-aminoethylamino)-2-oxoethyl]-N-propylmorpholine-3-carboxamide has a molecular weight of 272.35 g/mol, XLogP of -1.71, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-aminoethylamino)-2-oxoethyl]-N-propylmorpholine-3-carboxamide is sourced from PubChem (CID 83106517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).