4-[2-[3-aminopropyl(methyl)amino]-2-oxoethyl]-N-ethylmorpholine-3-carboxamide

C13H26N4O3 — CID 83106514

IUPAC4-[2-[3-aminopropyl(methyl)amino]-2-oxoethyl]-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1CC(=O)N(C)CCCN
InChIInChI=1S/C13H26N4O3/c1-3-15-13(19)11-10-20-8-7-17(11)9-12(18)16(2)6-4-5-14/h11H,3-10,14H2,1-2H3,(H,15,19)
InChIKeyJRIYHLQAOYESEL-UHFFFAOYSA-N
MW286.38 g/mol
LogP-1.37
Rot. Bonds7

About 4-[2-[3-aminopropyl(methyl)amino]-2-oxoethyl]-N-ethylmorpholine-3-carboxamide

4-[2-[3-aminopropyl(methyl)amino]-2-oxoethyl]-N-ethylmorpholine-3-carboxamide (PubChem CID 83106514) has the molecular formula C13H26N4O3 and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-[2-[3-aminopropyl(methyl)amino]-2-oxoethyl]-N-ethylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[2-[3-aminopropyl(methyl)amino]-2-oxoethyl]-N-ethylmorpholine-3-carboxamide
PubChem CID83106514
Molecular FormulaC13H26N4O3
Molecular Weight286.38 g/mol
Exact Mass286.20
IUPAC Name4-[2-[3-aminopropyl(methyl)amino]-2-oxoethyl]-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1CC(=O)N(C)CCCN
InChIInChI=1S/C13H26N4O3/c1-3-15-13(19)11-10-20-8-7-17(11)9-12(18)16(2)6-4-5-14/h11H,3-10,14H2,1-2H3,(H,15,19)
InChIKeyJRIYHLQAOYESEL-UHFFFAOYSA-N
XLogP-1.37
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 5-1.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[2-[3-aminopropyl(methyl)amino]-2-oxoethyl]morpholine-3-carboxylate
CID 104774499
N-ethyl-4-(2-oxopropyl)morpholine-3-carboxamide
CID 83103810
4-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]-methylamino]butanoic acid
CID 83104157
4-[2-(2-aminoethylamino)-2-oxoethyl]-N-propylmorpholine-3-carboxamide
CID 83106517
4-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 83097301
4-(3-amino-2-methylpropyl)-N-ethylmorpholine-3-carboxamide
CID 83106373
4-(3-amino-3-oxopropyl)-N-ethylmorpholine-3-carboxamide
CID 83103716
hydrazinyl 3-[3-(ethylcarbamoyl)morpholin-4-yl]propanoate
CID 83105070
4-(5-amino-5-sulfanylidenepentyl)-N-ethylmorpholine-3-carboxamide
CID 83099476
2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]-methylamino]acetic acid
CID 83103394
6-[3-(ethylcarbamoyl)morpholin-4-yl]hexanoic acid
CID 83100363
N-ethyl-4-(3-hydrazinyl-3-oxopropyl)morpholine-3-carboxamide
CID 83104053

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-aminopropyl(methyl)amino]-2-oxoethyl]-N-ethylmorpholine-3-carboxamide?
The IUPAC name of 4-[2-[3-aminopropyl(methyl)amino]-2-oxoethyl]-N-ethylmorpholine-3-carboxamide (CID 83106514) is 4-[2-[3-aminopropyl(methyl)amino]-2-oxoethyl]-N-ethylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[2-[3-aminopropyl(methyl)amino]-2-oxoethyl]-N-ethylmorpholine-3-carboxamide?
The canonical SMILES for 4-[2-[3-aminopropyl(methyl)amino]-2-oxoethyl]-N-ethylmorpholine-3-carboxamide is CCNC(=O)C1COCCN1CC(=O)N(C)CCCN.
What is the InChIKey of 4-[2-[3-aminopropyl(methyl)amino]-2-oxoethyl]-N-ethylmorpholine-3-carboxamide?
The InChIKey is JRIYHLQAOYESEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O3/c1-3-15-13(19)11-10-20-8-7-17(11)9-12(18)16(2)6-4-5-14/h11H,3-10,14H2,1-2H3,(H,15,19).
What are the key properties of 4-[2-[3-aminopropyl(methyl)amino]-2-oxoethyl]-N-ethylmorpholine-3-carboxamide?
4-[2-[3-aminopropyl(methyl)amino]-2-oxoethyl]-N-ethylmorpholine-3-carboxamide has a molecular weight of 286.38 g/mol, XLogP of -1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-aminopropyl(methyl)amino]-2-oxoethyl]-N-ethylmorpholine-3-carboxamide is sourced from PubChem (CID 83106514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).