2-[(4-ethylmorpholin-2-yl)methylamino]-N-(methylcarbamoyl)propanamide

C12H24N4O3 — CID 115623786

IUPAC2-[(4-ethylmorpholin-2-yl)methylamino]-N-(methylcarbamoyl)propanamide
SMILESCCN1CCOC(CNC(C)C(=O)NC(=O)NC)C1
InChIInChI=1S/C12H24N4O3/c1-4-16-5-6-19-10(8-16)7-14-9(2)11(17)15-12(18)13-3/h9-10,14H,4-8H2,1-3H3,(H2,13,15,17,18)
InChIKeyWHIPBDRXJJOBLM-UHFFFAOYSA-N
MW272.35 g/mol
LogP-0.86
Rot. Bonds5

About 2-[(4-ethylmorpholin-2-yl)methylamino]-N-(methylcarbamoyl)propanamide

2-[(4-ethylmorpholin-2-yl)methylamino]-N-(methylcarbamoyl)propanamide (PubChem CID 115623786) has the molecular formula C12H24N4O3 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[(4-ethylmorpholin-2-yl)methylamino]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[(4-ethylmorpholin-2-yl)methylamino]-N-(methylcarbamoyl)propanamide
PubChem CID115623786
Molecular FormulaC12H24N4O3
Molecular Weight272.35 g/mol
Exact Mass272.18
IUPAC Name2-[(4-ethylmorpholin-2-yl)methylamino]-N-(methylcarbamoyl)propanamide
SMILESCCN1CCOC(CNC(C)C(=O)NC(=O)NC)C1
InChIInChI=1S/C12H24N4O3/c1-4-16-5-6-19-10(8-16)7-14-9(2)11(17)15-12(18)13-3/h9-10,14H,4-8H2,1-3H3,(H2,13,15,17,18)
InChIKeyWHIPBDRXJJOBLM-UHFFFAOYSA-N
XLogP-0.86
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-[(4-ethylmorpholin-2-yl)methylamino]propanamide
CID 78960400
3-[(4-ethylmorpholin-2-yl)methylamino]butanoic acid
CID 114399804
N-methyl-2-[(4-methylmorpholin-2-yl)methylamino]propanamide
CID 78945377
N-[(4-ethylmorpholin-2-yl)methyl]-1-ethylsulfonylpropan-2-amine
CID 115919948
N-[(4-ethylmorpholin-2-yl)methyl]-6-methylheptan-2-amine
CID 79166729
1-cyclopropyl-N-[(4-ethylmorpholin-2-yl)methyl]propan-2-amine
CID 79166353
methyl 2-[(4-ethylmorpholin-2-yl)methylamino]butanoate
CID 113235641
(2R)-2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylbutanamide
CID 104921013
N-[(4-ethylmorpholin-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 115919969
N-[(4-ethylmorpholin-2-yl)methyl]-4,4,4-trifluorobutan-2-amine
CID 103931823
2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(methylcarbamoyl)propanamide
CID 43084476
3-[(4-ethylmorpholin-2-yl)methylcarbamoylamino]-2-methylbutanoic acid
CID 114400927

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylmorpholin-2-yl)methylamino]-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-[(4-ethylmorpholin-2-yl)methylamino]-N-(methylcarbamoyl)propanamide (CID 115623786) is 2-[(4-ethylmorpholin-2-yl)methylamino]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-[(4-ethylmorpholin-2-yl)methylamino]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-[(4-ethylmorpholin-2-yl)methylamino]-N-(methylcarbamoyl)propanamide is CCN1CCOC(CNC(C)C(=O)NC(=O)NC)C1.
What is the InChIKey of 2-[(4-ethylmorpholin-2-yl)methylamino]-N-(methylcarbamoyl)propanamide?
The InChIKey is WHIPBDRXJJOBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O3/c1-4-16-5-6-19-10(8-16)7-14-9(2)11(17)15-12(18)13-3/h9-10,14H,4-8H2,1-3H3,(H2,13,15,17,18).
What are the key properties of 2-[(4-ethylmorpholin-2-yl)methylamino]-N-(methylcarbamoyl)propanamide?
2-[(4-ethylmorpholin-2-yl)methylamino]-N-(methylcarbamoyl)propanamide has a molecular weight of 272.35 g/mol, XLogP of -0.86, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylmorpholin-2-yl)methylamino]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 115623786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).