N-ethyl-4-[2-(2,2,2-trifluoroethylamino)acetyl]morpholine-3-carboxamide

C11H18F3N3O3 — CID 83099413

IUPACN-ethyl-4-[2-(2,2,2-trifluoroethylamino)acetyl]morpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1C(=O)CNCC(F)(F)F
InChIInChI=1S/C11H18F3N3O3/c1-2-16-10(19)8-6-20-4-3-17(8)9(18)5-15-7-11(12,13)14/h8,15H,2-7H2,1H3,(H,16,19)
InChIKeyCSSQYWAVSXOJND-UHFFFAOYSA-N
MW297.28 g/mol
LogP-0.50
Rot. Bonds5

About N-ethyl-4-[2-(2,2,2-trifluoroethylamino)acetyl]morpholine-3-carboxamide

N-ethyl-4-[2-(2,2,2-trifluoroethylamino)acetyl]morpholine-3-carboxamide (PubChem CID 83099413) has the molecular formula C11H18F3N3O3 and a molecular weight of 297.28 g/mol. Its IUPAC name is N-ethyl-4-[2-(2,2,2-trifluoroethylamino)acetyl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[2-(2,2,2-trifluoroethylamino)acetyl]morpholine-3-carboxamide
PubChem CID83099413
Molecular FormulaC11H18F3N3O3
Molecular Weight297.28 g/mol
Exact Mass297.13
IUPAC NameN-ethyl-4-[2-(2,2,2-trifluoroethylamino)acetyl]morpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1C(=O)CNCC(F)(F)F
InChIInChI=1S/C11H18F3N3O3/c1-2-16-10(19)8-6-20-4-3-17(8)9(18)5-15-7-11(12,13)14/h8,15H,2-7H2,1H3,(H,16,19)
InChIKeyCSSQYWAVSXOJND-UHFFFAOYSA-N
XLogP-0.50
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(cyclopropylamino)acetyl]-N-ethylmorpholine-3-carboxamide
CID 83099136
N-ethyl-4-[3-(ethylamino)propanoyl]morpholine-3-carboxamide
CID 83099263
N-ethyl-4-[2-[(2-methylpropan-2-yl)oxy]acetyl]morpholine-3-carboxamide
CID 112605644
4-[3-(tert-butylamino)propanoyl]-N-ethylmorpholine-3-carboxamide
CID 83097999
3-N-ethylmorpholine-3,4-dicarboxamide
CID 83106248
methyl 3-(ethylcarbamoyl)morpholine-4-carboxylate
CID 116657408
2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]amino]acetic acid
CID 83103608
3-N-ethyl-4-N-propan-2-ylmorpholine-3,4-dicarboxamide
CID 116657396
1-[3-(ethylcarbamoyl)morpholine-4-carbonyl]cyclobutane-1-carboxylic acid
CID 83103065
3-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)morpholine-3,4-dicarboxamide
CID 116657490
4-N-cyclopentyl-3-N-ethylmorpholine-3,4-dicarboxamide
CID 116657394
2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]-methylamino]acetic acid
CID 83103394

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[2-(2,2,2-trifluoroethylamino)acetyl]morpholine-3-carboxamide?
The IUPAC name of N-ethyl-4-[2-(2,2,2-trifluoroethylamino)acetyl]morpholine-3-carboxamide (CID 83099413) is N-ethyl-4-[2-(2,2,2-trifluoroethylamino)acetyl]morpholine-3-carboxamide.
What is the SMILES notation for N-ethyl-4-[2-(2,2,2-trifluoroethylamino)acetyl]morpholine-3-carboxamide?
The canonical SMILES for N-ethyl-4-[2-(2,2,2-trifluoroethylamino)acetyl]morpholine-3-carboxamide is CCNC(=O)C1COCCN1C(=O)CNCC(F)(F)F.
What is the InChIKey of N-ethyl-4-[2-(2,2,2-trifluoroethylamino)acetyl]morpholine-3-carboxamide?
The InChIKey is CSSQYWAVSXOJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O3/c1-2-16-10(19)8-6-20-4-3-17(8)9(18)5-15-7-11(12,13)14/h8,15H,2-7H2,1H3,(H,16,19).
What are the key properties of N-ethyl-4-[2-(2,2,2-trifluoroethylamino)acetyl]morpholine-3-carboxamide?
N-ethyl-4-[2-(2,2,2-trifluoroethylamino)acetyl]morpholine-3-carboxamide has a molecular weight of 297.28 g/mol, XLogP of -0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[2-(2,2,2-trifluoroethylamino)acetyl]morpholine-3-carboxamide is sourced from PubChem (CID 83099413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).