2-amino-N-cyclopropyl-3,3,3-trifluoro-N-(2-hydroxyethyl)-2-methylpropanamide

C9H15F3N2O2 — CID 79796983

IUPAC2-amino-N-cyclopropyl-3,3,3-trifluoro-N-(2-hydroxyethyl)-2-methylpropanamide
SMILESCC(N)(C(=O)N(CCO)C1CC1)C(F)(F)F
InChIInChI=1S/C9H15F3N2O2/c1-8(13,9(10,11)12)7(16)14(4-5-15)6-2-3-6/h6,15H,2-5,13H2,1H3
InChIKeyVDBMTOFDDHCREB-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.25
Rot. Bonds4

About 2-amino-N-cyclopropyl-3,3,3-trifluoro-N-(2-hydroxyethyl)-2-methylpropanamide

2-amino-N-cyclopropyl-3,3,3-trifluoro-N-(2-hydroxyethyl)-2-methylpropanamide (PubChem CID 79796983) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 2-amino-N-cyclopropyl-3,3,3-trifluoro-N-(2-hydroxyethyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-cyclopropyl-3,3,3-trifluoro-N-(2-hydroxyethyl)-2-methylpropanamide
PubChem CID79796983
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name2-amino-N-cyclopropyl-3,3,3-trifluoro-N-(2-hydroxyethyl)-2-methylpropanamide
SMILESCC(N)(C(=O)N(CCO)C1CC1)C(F)(F)F
InChIInChI=1S/C9H15F3N2O2/c1-8(13,9(10,11)12)7(16)14(4-5-15)6-2-3-6/h6,15H,2-5,13H2,1H3
InChIKeyVDBMTOFDDHCREB-UHFFFAOYSA-N
XLogP0.25
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-cyclobutyl-3,3,3-trifluoro-N-(2-hydroxyethyl)-2-methylpropanamide
CID 102861935
2-amino-N-cyclopentyl-3,3,3-trifluoro-N-(2-hydroxyethyl)-2-methylpropanamide
CID 79806120
2-amino-N-cyclobutyl-N-(2-hydroxyethyl)-2-methylpropanamide
CID 102862067
2-amino-N-cyclopentyl-N-ethyl-3,3,3-trifluoro-2-methylpropanamide
CID 79796711
N-cyclopentyl-2,2,3,3,3-pentafluoro-N-(2-hydroxyethyl)propanamide
CID 114037858
2-amino-N-cyclopropyl-3,3,3-trifluoro-N-(furan-2-ylmethyl)-2-methylpropanamide
CID 79805488
2-amino-N-cyclopentyl-3,3,3-trifluoro-N,2-dimethylpropanamide
CID 79796879
N-cyclopropyl-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)butanamide
CID 76921421
2-(aminomethyl)-N-cyclobutyl-N-(2-hydroxyethyl)-2-methylbutanamide
CID 102861281
3-amino-N-(2-hydroxyethyl)-2,2-dimethyl-N-(1-methylpiperidin-4-yl)propanamide
CID 113307593
2-amino-N-(cyclobutylmethyl)-3,3,3-trifluoro-N,2-dimethylpropanamide
CID 79810672
2-bromo-N-cyclopropyl-N-(2-hydroxyethyl)acetamide
CID 63679872

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclopropyl-3,3,3-trifluoro-N-(2-hydroxyethyl)-2-methylpropanamide?
The IUPAC name of 2-amino-N-cyclopropyl-3,3,3-trifluoro-N-(2-hydroxyethyl)-2-methylpropanamide (CID 79796983) is 2-amino-N-cyclopropyl-3,3,3-trifluoro-N-(2-hydroxyethyl)-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-cyclopropyl-3,3,3-trifluoro-N-(2-hydroxyethyl)-2-methylpropanamide?
The canonical SMILES for 2-amino-N-cyclopropyl-3,3,3-trifluoro-N-(2-hydroxyethyl)-2-methylpropanamide is CC(N)(C(=O)N(CCO)C1CC1)C(F)(F)F.
What is the InChIKey of 2-amino-N-cyclopropyl-3,3,3-trifluoro-N-(2-hydroxyethyl)-2-methylpropanamide?
The InChIKey is VDBMTOFDDHCREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c1-8(13,9(10,11)12)7(16)14(4-5-15)6-2-3-6/h6,15H,2-5,13H2,1H3.
What are the key properties of 2-amino-N-cyclopropyl-3,3,3-trifluoro-N-(2-hydroxyethyl)-2-methylpropanamide?
2-amino-N-cyclopropyl-3,3,3-trifluoro-N-(2-hydroxyethyl)-2-methylpropanamide has a molecular weight of 240.22 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclopropyl-3,3,3-trifluoro-N-(2-hydroxyethyl)-2-methylpropanamide is sourced from PubChem (CID 79796983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).