N-(1-amino-2-cyclopropylpropan-2-yl)-4,4,4-trifluoro-3-phenylbutanamide

C16H21F3N2O — CID 119574021

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-4,4,4-trifluoro-3-phenylbutanamide
SMILESCC(CN)(NC(=O)CC(c1ccccc1)C(F)(F)F)C1CC1
InChIInChI=1S/C16H21F3N2O/c1-15(10-20,12-7-8-12)21-14(22)9-13(16(17,18)19)11-5-3-2-4-6-11/h2-6,12-13H,7-10,20H2,1H3,(H,21,22)
InChIKeyUYWYVGTWUYRFTG-UHFFFAOYSA-N
MW314.35 g/mol
LogP2.97
Rot. Bonds6

About N-(1-amino-2-cyclopropylpropan-2-yl)-4,4,4-trifluoro-3-phenylbutanamide

N-(1-amino-2-cyclopropylpropan-2-yl)-4,4,4-trifluoro-3-phenylbutanamide (PubChem CID 119574021) has the molecular formula C16H21F3N2O and a molecular weight of 314.35 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-4,4,4-trifluoro-3-phenylbutanamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-4,4,4-trifluoro-3-phenylbutanamide
PubChem CID119574021
Molecular FormulaC16H21F3N2O
Molecular Weight314.35 g/mol
Exact Mass314.16
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-4,4,4-trifluoro-3-phenylbutanamide
SMILESCC(CN)(NC(=O)CC(c1ccccc1)C(F)(F)F)C1CC1
InChIInChI=1S/C16H21F3N2O/c1-15(10-20,12-7-8-12)21-14(22)9-13(16(17,18)19)11-5-3-2-4-6-11/h2-6,12-13H,7-10,20H2,1H3,(H,21,22)
InChIKeyUYWYVGTWUYRFTG-UHFFFAOYSA-N
XLogP2.97
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-2-[(4,4,4-trifluoro-3-phenylbutanoyl)amino]propanoic acid
CID 75472228
N-(1-amino-2-methylpropan-2-yl)-4,4,4-trifluoro-3-phenylbutanamide
CID 119523136
N-(1-amino-2,3-dimethylbutan-2-yl)-4,4,4-trifluoro-3-phenylbutanamide;hydrochloride
CID 119607171
N-(1-amino-2-cyclopropylpropan-2-yl)-3-[2-(trifluoromethyl)phenyl]butanamide
CID 119575539
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-phenylphenyl)acetamide;hydrochloride
CID 119572218
N-(1-amino-2-cyclopropylpropan-2-yl)-2,2-difluoro-2-phenylacetamide;hydrochloride
CID 119573837
N-(1-amino-2-cyclopropylpropan-2-yl)-2-[2-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119573786
N-[2-(aminomethyl)cyclopentyl]-4,4,4-trifluoro-3-phenylbutanamide;hydrochloride
CID 119602801
N-(2-amino-1-cyclohexylethyl)-4,4,4-trifluoro-3-phenylbutanamide
CID 119590512
N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-2-phenylpropanamide
CID 115307744
N-(1-amino-2-cyclopropylpropan-2-yl)-2-naphthalen-1-ylacetamide;hydrochloride
CID 119574755
N-[2-[(1-amino-2-cyclopropylpropan-2-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 119575122

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-4,4,4-trifluoro-3-phenylbutanamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-4,4,4-trifluoro-3-phenylbutanamide (CID 119574021) is N-(1-amino-2-cyclopropylpropan-2-yl)-4,4,4-trifluoro-3-phenylbutanamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-4,4,4-trifluoro-3-phenylbutanamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-4,4,4-trifluoro-3-phenylbutanamide is CC(CN)(NC(=O)CC(c1ccccc1)C(F)(F)F)C1CC1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-4,4,4-trifluoro-3-phenylbutanamide?
The InChIKey is UYWYVGTWUYRFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O/c1-15(10-20,12-7-8-12)21-14(22)9-13(16(17,18)19)11-5-3-2-4-6-11/h2-6,12-13H,7-10,20H2,1H3,(H,21,22).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-4,4,4-trifluoro-3-phenylbutanamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-4,4,4-trifluoro-3-phenylbutanamide has a molecular weight of 314.35 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-4,4,4-trifluoro-3-phenylbutanamide is sourced from PubChem (CID 119574021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).