2-amino-N-cyclopropyl-3-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride

C15H20ClF3N2O2 — CID 120985183

IUPAC2-amino-N-cyclopropyl-3-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride
SMILESCOCC(N)C(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1.Cl
InChIInChI=1S/C15H19F3N2O2.ClH/c1-22-9-13(19)14(21)20(12-6-7-12)8-10-2-4-11(5-3-10)15(16,17)18;/h2-5,12-13H,6-9,19H2,1H3;1H
InChIKeyVOQQCCJWVLJDCN-UHFFFAOYSA-N
MW352.78 g/mol
LogP2.59
Rot. Bonds6

About 2-amino-N-cyclopropyl-3-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride

2-amino-N-cyclopropyl-3-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride (PubChem CID 120985183) has the molecular formula C15H20ClF3N2O2 and a molecular weight of 352.78 g/mol. Its IUPAC name is 2-amino-N-cyclopropyl-3-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-cyclopropyl-3-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride
PubChem CID120985183
Molecular FormulaC15H20ClF3N2O2
Molecular Weight352.78 g/mol
Exact Mass352.12
IUPAC Name2-amino-N-cyclopropyl-3-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride
SMILESCOCC(N)C(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1.Cl
InChIInChI=1S/C15H19F3N2O2.ClH/c1-22-9-13(19)14(21)20(12-6-7-12)8-10-2-4-11(5-3-10)15(16,17)18;/h2-5,12-13H,6-9,19H2,1H3;1H
InChIKeyVOQQCCJWVLJDCN-UHFFFAOYSA-N
XLogP2.59
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.78
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-cyclopropyl-N-[(4-fluorophenyl)methyl]butanamide
CID 79024748
N-cyclopropyl-2-methylsulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 134004426
2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]pentanamide
CID 60938574
(2S)-2-amino-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3,3-dimethylbutanamide
CID 61165604
(2S)-2-amino-N-cyclopropyl-4-methyl-N-[(4-methylphenyl)methyl]pentanamide
CID 61165448
2-amino-N-butyl-N-cyclopropyl-3-methoxypropanamide
CID 81082508
(2S)-2-amino-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propanamide;hydrochloride
CID 119273120
3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-2-methoxypropanamide
CID 106112024
(2S)-2-amino-N-cyclopropyl-N-[(4-methylphenyl)methyl]propanamide
CID 66568238
2-amino-N-cyclopropyl-3,3-dimethyl-N-[(4-methylphenyl)methyl]butanamide
CID 76895294
4-[[[(2R)-2-aminopropanoyl]-cyclopropylamino]methyl]benzamide;hydrochloride
CID 119291590
(2S)-2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3,3-dimethylbutanamide
CID 61165442

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclopropyl-3-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride?
The IUPAC name of 2-amino-N-cyclopropyl-3-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride (CID 120985183) is 2-amino-N-cyclopropyl-3-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-cyclopropyl-3-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride?
The canonical SMILES for 2-amino-N-cyclopropyl-3-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride is COCC(N)C(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1.Cl.
What is the InChIKey of 2-amino-N-cyclopropyl-3-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride?
The InChIKey is VOQQCCJWVLJDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2.ClH/c1-22-9-13(19)14(21)20(12-6-7-12)8-10-2-4-11(5-3-10)15(16,17)18;/h2-5,12-13H,6-9,19H2,1H3;1H.
What are the key properties of 2-amino-N-cyclopropyl-3-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride?
2-amino-N-cyclopropyl-3-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride has a molecular weight of 352.78 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclopropyl-3-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 120985183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).