2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide

C11H20F3N3O2 — CID 114399963

IUPAC2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide
SMILESCCN1CCOC(CNC(=O)C(C)(N)C(F)(F)F)C1
InChIInChI=1S/C11H20F3N3O2/c1-3-17-4-5-19-8(7-17)6-16-9(18)10(2,15)11(12,13)14/h8H,3-7,15H2,1-2H3,(H,16,18)
InChIKeyXPDSLXPVLDJDPX-UHFFFAOYSA-N
MW283.29 g/mol
LogP0.10
Rot. Bonds4

About 2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide

2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide (PubChem CID 114399963) has the molecular formula C11H20F3N3O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide
PubChem CID114399963
Molecular FormulaC11H20F3N3O2
Molecular Weight283.29 g/mol
Exact Mass283.15
IUPAC Name2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide
SMILESCCN1CCOC(CNC(=O)C(C)(N)C(F)(F)F)C1
InChIInChI=1S/C11H20F3N3O2/c1-3-17-4-5-19-8(7-17)6-16-9(18)10(2,15)11(12,13)14/h8H,3-7,15H2,1-2H3,(H,16,18)
InChIKeyXPDSLXPVLDJDPX-UHFFFAOYSA-N
XLogP0.10
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-sulfanylidenepropanamide
CID 114400114
(2R)-2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylbutanamide
CID 104921013
N-[(4-ethylmorpholin-2-yl)methyl]-2-methoxyacetamide
CID 115629823
2-amino-2-methyl-N-[(4-methylmorpholin-2-yl)methyl]butanamide
CID 79811490
3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-methylpentanamide
CID 114399970
4-[(4-ethylmorpholin-2-yl)methylcarbamoylamino]-3-hydroxy-3-methylbutanoic acid
CID 114400938
2-(aminomethyl)-N-[(4-ethylmorpholin-2-yl)methyl]cyclopentane-1-carboxamide
CID 115976418
2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 114400020
2-(cyclopropylamino)-N-[(4-ethylmorpholin-2-yl)methyl]acetamide
CID 115976412
N-[(4-ethylmorpholin-2-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 79165763
tert-butyl 2-[(4-ethylmorpholin-2-yl)methylamino]acetate
CID 113235636
N-[(4-ethylmorpholin-2-yl)methyl]-2-piperazin-1-ylacetamide
CID 114399910

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide?
The IUPAC name of 2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide (CID 114399963) is 2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide is CCN1CCOC(CNC(=O)C(C)(N)C(F)(F)F)C1.
What is the InChIKey of 2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide?
The InChIKey is XPDSLXPVLDJDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O2/c1-3-17-4-5-19-8(7-17)6-16-9(18)10(2,15)11(12,13)14/h8H,3-7,15H2,1-2H3,(H,16,18).
What are the key properties of 2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide?
2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide has a molecular weight of 283.29 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide is sourced from PubChem (CID 114399963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).