2-amino-N-cyclopropyl-4-phenyl-N-(2,2,2-trifluoroethyl)butanamide

C15H19F3N2O — CID 114927967

IUPAC2-amino-N-cyclopropyl-4-phenyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESNC(CCc1ccccc1)C(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C15H19F3N2O/c16-15(17,18)10-20(12-7-8-12)14(21)13(19)9-6-11-4-2-1-3-5-11/h1-5,12-13H,6-10,19H2
InChIKeyFKWFJZGFMOSSPH-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.50
Rot. Bonds6

About 2-amino-N-cyclopropyl-4-phenyl-N-(2,2,2-trifluoroethyl)butanamide

2-amino-N-cyclopropyl-4-phenyl-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 114927967) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is 2-amino-N-cyclopropyl-4-phenyl-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name2-amino-N-cyclopropyl-4-phenyl-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID114927967
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name2-amino-N-cyclopropyl-4-phenyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESNC(CCc1ccccc1)C(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C15H19F3N2O/c16-15(17,18)10-20(12-7-8-12)14(21)13(19)9-6-11-4-2-1-3-5-11/h1-5,12-13H,6-10,19H2
InChIKeyFKWFJZGFMOSSPH-UHFFFAOYSA-N
XLogP2.50
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-cyclopropyl-N-(2-methylpropyl)-4-phenylbutanamide
CID 104984034
2-amino-N-cyclopropyl-N-(2,2,2-trifluoroethyl)butanediamide
CID 55008888
N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzamide
CID 61410101
2-amino-N-methyl-4-phenyl-N-propan-2-ylbutanamide
CID 114924872
2-amino-N-benzyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 60938216
(2S)-2-amino-N-(cyclobutylmethyl)-N-ethyl-4-phenylbutanamide
CID 107398372
(2S)-2-amino-4-phenylbutanoic acid;bohrium
CID 59366799
1-cyclopropyl-3-phenyl-1-(2,2,2-trifluoroethyl)thiourea
CID 116507885
2-amino-N-[(3-hydroxycyclobutyl)methyl]-N-methyl-4-phenylbutanamide
CID 114928737
(2S)-2-amino-N-ethyl-N-(2-ethylbutyl)-4-phenylbutanamide
CID 104983957
2-[[(2S)-2-amino-4-phenylbutanoyl]-ethylamino]acetic acid
CID 104984270
2-amino-N-cyclohexyl-N-ethyl-3-phenylpropanamide;hydrochloride
CID 56831881

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclopropyl-4-phenyl-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 2-amino-N-cyclopropyl-4-phenyl-N-(2,2,2-trifluoroethyl)butanamide (CID 114927967) is 2-amino-N-cyclopropyl-4-phenyl-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 2-amino-N-cyclopropyl-4-phenyl-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 2-amino-N-cyclopropyl-4-phenyl-N-(2,2,2-trifluoroethyl)butanamide is NC(CCc1ccccc1)C(=O)N(CC(F)(F)F)C1CC1.
What is the InChIKey of 2-amino-N-cyclopropyl-4-phenyl-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is FKWFJZGFMOSSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c16-15(17,18)10-20(12-7-8-12)14(21)13(19)9-6-11-4-2-1-3-5-11/h1-5,12-13H,6-10,19H2.
What are the key properties of 2-amino-N-cyclopropyl-4-phenyl-N-(2,2,2-trifluoroethyl)butanamide?
2-amino-N-cyclopropyl-4-phenyl-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 300.32 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclopropyl-4-phenyl-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 114927967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).