3-amino-N-cyclopropyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide

C15H19F3N2O — CID 99849482

IUPAC3-amino-N-cyclopropyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
SMILESC[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)CCN)C1CC1
InChIInChI=1S/C15H19F3N2O/c1-10(20(13-5-6-13)14(21)7-8-19)11-3-2-4-12(9-11)15(16,17)18/h2-4,9-10,13H,5-8,19H2,1H3/t10-/m1/s1
InChIKeyIIDHKSGIAUAXGU-SNVBAGLBSA-N
MW300.32 g/mol
LogP3.11
Rot. Bonds5

About 3-amino-N-cyclopropyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide

3-amino-N-cyclopropyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide (PubChem CID 99849482) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
PubChem CID99849482
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name3-amino-N-cyclopropyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
SMILESC[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)CCN)C1CC1
InChIInChI=1S/C15H19F3N2O/c1-10(20(13-5-6-13)14(21)7-8-19)11-3-2-4-12(9-11)15(16,17)18/h2-4,9-10,13H,5-8,19H2,1H3/t10-/m1/s1
InChIKeyIIDHKSGIAUAXGU-SNVBAGLBSA-N
XLogP3.11
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-3-(2-hydroxyphenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 112820407
4-amino-N-cyclopropyl-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 120589542
2-(benzotriazol-1-yl)-N-cyclopropyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 56684344
N-cyclopropyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 52573052
N-cyclopropyl-2-(3,4-dimethoxyphenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 56684341
N-cyclopropyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 52573051
3-acetamido-3-(4-chlorophenyl)-N-cyclopropyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 55594929
N-cyclopropyl-4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 55594132
N-cyclopropyl-3-(3-oxo-1,4-benzoxazin-4-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 55595162
N-cyclopropyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride
CID 119297142
2-[cyclopropyl-[1-[3-(trifluoromethyl)phenyl]ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119181796
(2S,4S)-N-cyclopropyl-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride
CID 120624126

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide?
The IUPAC name of 3-amino-N-cyclopropyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide (CID 99849482) is 3-amino-N-cyclopropyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide?
The canonical SMILES for 3-amino-N-cyclopropyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide is C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)CCN)C1CC1.
What is the InChIKey of 3-amino-N-cyclopropyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide?
The InChIKey is IIDHKSGIAUAXGU-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-10(20(13-5-6-13)14(21)7-8-19)11-3-2-4-12(9-11)15(16,17)18/h2-4,9-10,13H,5-8,19H2,1H3/t10-/m1/s1.
What are the key properties of 3-amino-N-cyclopropyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide?
3-amino-N-cyclopropyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide has a molecular weight of 300.32 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide is sourced from PubChem (CID 99849482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).