2-amino-N-[2-(3-methoxy-5-methylphenyl)ethyl]-3-methyl-2-(trifluoromethyl)butanamide

C16H23F3N2O2 — CID 167947745

IUPAC2-amino-N-[2-(3-methoxy-5-methylphenyl)ethyl]-3-methyl-2-(trifluoromethyl)butanamide
SMILESCOc1cc(C)cc(CCNC(=O)C(N)(C(C)C)C(F)(F)F)c1
InChIInChI=1S/C16H23F3N2O2/c1-10(2)15(20,16(17,18)19)14(22)21-6-5-12-7-11(3)8-13(9-12)23-4/h7-10H,5-6,20H2,1-4H3,(H,21,22)
InChIKeyLCGKQAYUUONARR-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.58
Rot. Bonds6

About 2-amino-N-[2-(3-methoxy-5-methylphenyl)ethyl]-3-methyl-2-(trifluoromethyl)butanamide

2-amino-N-[2-(3-methoxy-5-methylphenyl)ethyl]-3-methyl-2-(trifluoromethyl)butanamide (PubChem CID 167947745) has the molecular formula C16H23F3N2O2 and a molecular weight of 332.37 g/mol. Its IUPAC name is 2-amino-N-[2-(3-methoxy-5-methylphenyl)ethyl]-3-methyl-2-(trifluoromethyl)butanamide.

Molecular Properties

Compound Name2-amino-N-[2-(3-methoxy-5-methylphenyl)ethyl]-3-methyl-2-(trifluoromethyl)butanamide
PubChem CID167947745
Molecular FormulaC16H23F3N2O2
Molecular Weight332.37 g/mol
Exact Mass332.17
IUPAC Name2-amino-N-[2-(3-methoxy-5-methylphenyl)ethyl]-3-methyl-2-(trifluoromethyl)butanamide
SMILESCOc1cc(C)cc(CCNC(=O)C(N)(C(C)C)C(F)(F)F)c1
InChIInChI=1S/C16H23F3N2O2/c1-10(2)15(20,16(17,18)19)14(22)21-6-5-12-7-11(3)8-13(9-12)23-4/h7-10H,5-6,20H2,1-4H3,(H,21,22)
InChIKeyLCGKQAYUUONARR-UHFFFAOYSA-N
XLogP2.58
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(3-methoxy-5-methylphenyl)ethyl]-3-methyl-2-(trifluoromethyl)butanamide?
The IUPAC name of 2-amino-N-[2-(3-methoxy-5-methylphenyl)ethyl]-3-methyl-2-(trifluoromethyl)butanamide (CID 167947745) is 2-amino-N-[2-(3-methoxy-5-methylphenyl)ethyl]-3-methyl-2-(trifluoromethyl)butanamide.
What is the SMILES notation for 2-amino-N-[2-(3-methoxy-5-methylphenyl)ethyl]-3-methyl-2-(trifluoromethyl)butanamide?
The canonical SMILES for 2-amino-N-[2-(3-methoxy-5-methylphenyl)ethyl]-3-methyl-2-(trifluoromethyl)butanamide is COc1cc(C)cc(CCNC(=O)C(N)(C(C)C)C(F)(F)F)c1.
What is the InChIKey of 2-amino-N-[2-(3-methoxy-5-methylphenyl)ethyl]-3-methyl-2-(trifluoromethyl)butanamide?
The InChIKey is LCGKQAYUUONARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O2/c1-10(2)15(20,16(17,18)19)14(22)21-6-5-12-7-11(3)8-13(9-12)23-4/h7-10H,5-6,20H2,1-4H3,(H,21,22).
What are the key properties of 2-amino-N-[2-(3-methoxy-5-methylphenyl)ethyl]-3-methyl-2-(trifluoromethyl)butanamide?
2-amino-N-[2-(3-methoxy-5-methylphenyl)ethyl]-3-methyl-2-(trifluoromethyl)butanamide has a molecular weight of 332.37 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(3-methoxy-5-methylphenyl)ethyl]-3-methyl-2-(trifluoromethyl)butanamide is sourced from PubChem (CID 167947745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).