5-amino-N-[4-methoxy-2-(trifluoromethyl)phenyl]-4-methylpentanamide

C14H19F3N2O2 — CID 82013444

IUPAC5-amino-N-[4-methoxy-2-(trifluoromethyl)phenyl]-4-methylpentanamide
SMILESCOc1ccc(NC(=O)CCC(C)CN)c(C(F)(F)F)c1
InChIInChI=1S/C14H19F3N2O2/c1-9(8-18)3-6-13(20)19-12-5-4-10(21-2)7-11(12)14(15,16)17/h4-5,7,9H,3,6,8,18H2,1-2H3,(H,19,20)
InChIKeyQNMFLXNLLJFETG-UHFFFAOYSA-N
MW304.31 g/mol
LogP3.03
Rot. Bonds6

About 5-amino-N-[4-methoxy-2-(trifluoromethyl)phenyl]-4-methylpentanamide

5-amino-N-[4-methoxy-2-(trifluoromethyl)phenyl]-4-methylpentanamide (PubChem CID 82013444) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 5-amino-N-[4-methoxy-2-(trifluoromethyl)phenyl]-4-methylpentanamide.

Molecular Properties

Compound Name5-amino-N-[4-methoxy-2-(trifluoromethyl)phenyl]-4-methylpentanamide
PubChem CID82013444
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC Name5-amino-N-[4-methoxy-2-(trifluoromethyl)phenyl]-4-methylpentanamide
SMILESCOc1ccc(NC(=O)CCC(C)CN)c(C(F)(F)F)c1
InChIInChI=1S/C14H19F3N2O2/c1-9(8-18)3-6-13(20)19-12-5-4-10(21-2)7-11(12)14(15,16)17/h4-5,7,9H,3,6,8,18H2,1-2H3,(H,19,20)
InChIKeyQNMFLXNLLJFETG-UHFFFAOYSA-N
XLogP3.03
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-(2-hydroxy-4-methoxyphenyl)-4-methylpentanamide
CID 102695232
4-hydroxy-N-[4-methoxy-2-(trifluoromethyl)phenyl]butanamide
CID 79200697
2-chloro-N-[4-methoxy-2-(trifluoromethyl)phenyl]acetamide
CID 43697093
5-amino-N-(4-methoxyphenyl)-4-methylpentanamide
CID 82017203
2-N-[4-methoxy-2-(trifluoromethyl)phenyl]propane-1,2-diamine
CID 103388027
methyl 2-[4-methoxy-2-(trifluoromethyl)anilino]propanoate
CID 66173707
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-(2,4-dimethoxyphenyl)-4-hydroxybutanamide
CID 84555197
5-amino-N-(3-methoxyphenyl)-4-methylpentanamide
CID 82682498
5-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 82010864
4-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-methylbutanamide
CID 81070111
3-chloro-N-[4-methoxy-2-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 63679600
5-amino-N-(4,5-dimethoxy-2-methylphenyl)-4-methylpentanamide
CID 82012097

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[4-methoxy-2-(trifluoromethyl)phenyl]-4-methylpentanamide?
The IUPAC name of 5-amino-N-[4-methoxy-2-(trifluoromethyl)phenyl]-4-methylpentanamide (CID 82013444) is 5-amino-N-[4-methoxy-2-(trifluoromethyl)phenyl]-4-methylpentanamide.
What is the SMILES notation for 5-amino-N-[4-methoxy-2-(trifluoromethyl)phenyl]-4-methylpentanamide?
The canonical SMILES for 5-amino-N-[4-methoxy-2-(trifluoromethyl)phenyl]-4-methylpentanamide is COc1ccc(NC(=O)CCC(C)CN)c(C(F)(F)F)c1.
What is the InChIKey of 5-amino-N-[4-methoxy-2-(trifluoromethyl)phenyl]-4-methylpentanamide?
The InChIKey is QNMFLXNLLJFETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-9(8-18)3-6-13(20)19-12-5-4-10(21-2)7-11(12)14(15,16)17/h4-5,7,9H,3,6,8,18H2,1-2H3,(H,19,20).
What are the key properties of 5-amino-N-[4-methoxy-2-(trifluoromethyl)phenyl]-4-methylpentanamide?
5-amino-N-[4-methoxy-2-(trifluoromethyl)phenyl]-4-methylpentanamide has a molecular weight of 304.31 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[4-methoxy-2-(trifluoromethyl)phenyl]-4-methylpentanamide is sourced from PubChem (CID 82013444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).