2-amino-N-[cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-3-methoxypropanamide

C15H19F3N2O2 — CID 120993900

IUPAC2-amino-N-[cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)NC(c1cccc(C(F)(F)F)c1)C1CC1
InChIInChI=1S/C15H19F3N2O2/c1-22-8-12(19)14(21)20-13(9-5-6-9)10-3-2-4-11(7-10)15(16,17)18/h2-4,7,9,12-13H,5-6,8,19H2,1H3,(H,20,21)
InChIKeyGKZFLBYPLPGBFQ-UHFFFAOYSA-N
MW316.32 g/mol
LogP2.25
Rot. Bonds6

About 2-amino-N-[cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-3-methoxypropanamide

2-amino-N-[cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-3-methoxypropanamide (PubChem CID 120993900) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is 2-amino-N-[cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-[cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-3-methoxypropanamide
PubChem CID120993900
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC Name2-amino-N-[cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)NC(c1cccc(C(F)(F)F)c1)C1CC1
InChIInChI=1S/C15H19F3N2O2/c1-22-8-12(19)14(21)20-13(9-5-6-9)10-3-2-4-11(7-10)15(16,17)18/h2-4,7,9,12-13H,5-6,8,19H2,1H3,(H,20,21)
InChIKeyGKZFLBYPLPGBFQ-UHFFFAOYSA-N
XLogP2.25
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloroethyl)-3-[cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]urea
CID 165344289
[cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105193820
(S)-cyclopropyl-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 112756156
N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexanecarboxamide
CID 112764056
1-cycloheptyl-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
CID 65399168
1-[2-[[cyclohexyl-[3-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]piperidine-4-carboxamide
CID 155944781
(2R)-N-[(1S)-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-5-oxopyrrolidine-2-carboxamide
CID 95771540
methyl 2-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]acetate
CID 60998889
1-cyclohexyl-3-[(1S)-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1-prop-2-ynylurea
CID 95771613
methyl (3R)-3-amino-3-[3-(trifluoromethyl)phenyl]propanoate
CID 29059445
[cyclobutyl-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105193958
(2S)-2-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide;hydrochloride
CID 119275692

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-3-methoxypropanamide?
The IUPAC name of 2-amino-N-[cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-3-methoxypropanamide (CID 120993900) is 2-amino-N-[cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-[cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-[cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-3-methoxypropanamide is COCC(N)C(=O)NC(c1cccc(C(F)(F)F)c1)C1CC1.
What is the InChIKey of 2-amino-N-[cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-3-methoxypropanamide?
The InChIKey is GKZFLBYPLPGBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2/c1-22-8-12(19)14(21)20-13(9-5-6-9)10-3-2-4-11(7-10)15(16,17)18/h2-4,7,9,12-13H,5-6,8,19H2,1H3,(H,20,21).
What are the key properties of 2-amino-N-[cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-3-methoxypropanamide?
2-amino-N-[cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-3-methoxypropanamide has a molecular weight of 316.32 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-3-methoxypropanamide is sourced from PubChem (CID 120993900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).