N-(1-amino-2-cyclopropylpropan-2-yl)-3-[2-(trifluoromethyl)phenyl]butanamide

C17H23F3N2O — CID 119575539

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-3-[2-(trifluoromethyl)phenyl]butanamide
SMILESCC(CC(=O)NC(C)(CN)C1CC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H23F3N2O/c1-11(13-5-3-4-6-14(13)17(18,19)20)9-15(23)22-16(2,10-21)12-7-8-12/h3-6,11-12H,7-10,21H2,1-2H3,(H,22,23)
InChIKeyGFKFNHVRLUWJLM-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.44
Rot. Bonds6

About N-(1-amino-2-cyclopropylpropan-2-yl)-3-[2-(trifluoromethyl)phenyl]butanamide

N-(1-amino-2-cyclopropylpropan-2-yl)-3-[2-(trifluoromethyl)phenyl]butanamide (PubChem CID 119575539) has the molecular formula C17H23F3N2O and a molecular weight of 328.38 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-3-[2-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-3-[2-(trifluoromethyl)phenyl]butanamide
PubChem CID119575539
Molecular FormulaC17H23F3N2O
Molecular Weight328.38 g/mol
Exact Mass328.18
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-3-[2-(trifluoromethyl)phenyl]butanamide
SMILESCC(CC(=O)NC(C)(CN)C1CC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H23F3N2O/c1-11(13-5-3-4-6-14(13)17(18,19)20)9-15(23)22-16(2,10-21)12-7-8-12/h3-6,11-12H,7-10,21H2,1-2H3,(H,22,23)
InChIKeyGFKFNHVRLUWJLM-UHFFFAOYSA-N
XLogP3.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-2-[2-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119573786
N-[3-(aminomethyl)pentan-3-yl]-3-[2-(trifluoromethyl)phenyl]butanamide
CID 119571655
N-(1-amino-2-cyclopropylpropan-2-yl)-4,4,4-trifluoro-3-phenylbutanamide
CID 119574021
N-(3-aminopropyl)-3-[2-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119408524
N-piperidin-4-yl-3-[2-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119389907
3-[3-[2-(trifluoromethyl)phenyl]butanoylamino]butanoic acid
CID 119221373
N-(piperidin-3-ylmethyl)-3-[2-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119464051
N-(1-amino-2-cyclopropylpropan-2-yl)-2,2-difluoro-2-phenylacetamide;hydrochloride
CID 119573837
2-methyl-3-[3-[2-(trifluoromethyl)phenyl]butanoylamino]propanoic acid
CID 119237428
N-[2-[(1-amino-2-cyclopropylpropan-2-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 119575122
N-(2-pyrrolidin-3-ylethyl)-3-[2-(trifluoromethyl)phenyl]butanamide
CID 119537602
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(2-propan-2-yloxyphenyl)acetamide
CID 119573037

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-3-[2-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-3-[2-(trifluoromethyl)phenyl]butanamide (CID 119575539) is N-(1-amino-2-cyclopropylpropan-2-yl)-3-[2-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-3-[2-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-3-[2-(trifluoromethyl)phenyl]butanamide is CC(CC(=O)NC(C)(CN)C1CC1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-3-[2-(trifluoromethyl)phenyl]butanamide?
The InChIKey is GFKFNHVRLUWJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O/c1-11(13-5-3-4-6-14(13)17(18,19)20)9-15(23)22-16(2,10-21)12-7-8-12/h3-6,11-12H,7-10,21H2,1-2H3,(H,22,23).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-3-[2-(trifluoromethyl)phenyl]butanamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-3-[2-(trifluoromethyl)phenyl]butanamide has a molecular weight of 328.38 g/mol, XLogP of 3.44, 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)-3-[2-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 119575539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).