2-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylpentanamide

C15H23FN2O2 — CID 119774865

IUPAC2-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)NCCc1ccc(OC)c(F)c1
InChIInChI=1S/C15H23FN2O2/c1-4-8-15(2,17)14(19)18-9-7-11-5-6-13(20-3)12(16)10-11/h5-6,10H,4,7-9,17H2,1-3H3,(H,18,19)
InChIKeyMQVYLYONNGWPEP-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.01
Rot. Bonds7

About 2-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylpentanamide

2-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylpentanamide (PubChem CID 119774865) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylpentanamide
PubChem CID119774865
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name2-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)NCCc1ccc(OC)c(F)c1
InChIInChI=1S/C15H23FN2O2/c1-4-8-15(2,17)14(19)18-9-7-11-5-6-13(20-3)12(16)10-11/h5-6,10H,4,7-9,17H2,1-3H3,(H,18,19)
InChIKeyMQVYLYONNGWPEP-UHFFFAOYSA-N
XLogP2.01
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-methylpentanamide
CID 119742406
2-amino-N-[2-(4-fluorophenyl)ethyl]-2-methylpentanamide
CID 60847510
2-amino-N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylpentanamide
CID 119693075
1-tert-butyl-3-[2-(3-fluoro-4-methoxyphenyl)ethyl]urea
CID 110775669
2-amino-1-(3-fluoro-4-methoxyphenyl)-2-methylpentan-1-one
CID 116557002
1-(2,2-dimethylpropyl)-3-[2-(3-fluoro-4-methoxyphenyl)ethyl]urea
CID 110775671
(2R)-2-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119318455
3-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylbutanamide
CID 120500446
3-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119318444
2-amino-2-methyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pentanamide;hydrochloride
CID 119721542
3-[2-[(2-amino-2-methylpentanoyl)amino]ethyl]benzamide
CID 119770336
4-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]butanamide;hydrochloride
CID 119318463

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylpentanamide?
The IUPAC name of 2-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylpentanamide (CID 119774865) is 2-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylpentanamide.
What is the SMILES notation for 2-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylpentanamide?
The canonical SMILES for 2-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylpentanamide is CCCC(C)(N)C(=O)NCCc1ccc(OC)c(F)c1.
What is the InChIKey of 2-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylpentanamide?
The InChIKey is MQVYLYONNGWPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-4-8-15(2,17)14(19)18-9-7-11-5-6-13(20-3)12(16)10-11/h5-6,10H,4,7-9,17H2,1-3H3,(H,18,19).
What are the key properties of 2-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylpentanamide?
2-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylpentanamide has a molecular weight of 282.36 g/mol, XLogP of 2.01, 7 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-fluoro-4-methoxyphenyl)ethyl]-2-methylpentanamide is sourced from PubChem (CID 119774865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).