2-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]-3-methylpentanamide

C15H23FN2O2 — CID 119817621

IUPAC2-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)NCC(OC)c1ccc(F)cc1
InChIInChI=1S/C15H23FN2O2/c1-4-10(2)14(17)15(19)18-9-13(20-3)11-5-7-12(16)8-6-11/h5-8,10,13-14H,4,9,17H2,1-3H3,(H,18,19)
InChIKeyVWPZAWUVSWCJTP-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.00
Rot. Bonds7

About 2-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]-3-methylpentanamide

2-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]-3-methylpentanamide (PubChem CID 119817621) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]-3-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]-3-methylpentanamide
PubChem CID119817621
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name2-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)NCC(OC)c1ccc(F)cc1
InChIInChI=1S/C15H23FN2O2/c1-4-10(2)14(17)15(19)18-9-13(20-3)11-5-7-12(16)8-6-11/h5-8,10,13-14H,4,9,17H2,1-3H3,(H,18,19)
InChIKeyVWPZAWUVSWCJTP-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]-2-methylbutanamide
CID 120502200
2-amino-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-methylpentanamide;hydrochloride
CID 119719440
2-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]-3-methoxypropanamide;hydrochloride
CID 120991420
4-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]pentanamide;hydrochloride
CID 120563946
2-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylpentanamide
CID 119751723
2-amino-N-(2,2-difluoroethyl)-3-methylpentanamide
CID 81489680
4-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]butanamide
CID 119343022
(2S,3S)-2-amino-3-methyl-N-(2-phenylpropyl)pentanamide
CID 61251907
2-amino-N-[(2,4-difluorophenyl)methyl]-3-methylpentanamide
CID 55053137
1-[2-(4-fluorophenyl)-2-methoxyethyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111509469
1-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119343019
3-[[2-(4-fluorophenyl)-2-methoxyethyl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122004565

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]-3-methylpentanamide?
The IUPAC name of 2-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]-3-methylpentanamide (CID 119817621) is 2-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]-3-methylpentanamide.
What is the SMILES notation for 2-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]-3-methylpentanamide?
The canonical SMILES for 2-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]-3-methylpentanamide is CCC(C)C(N)C(=O)NCC(OC)c1ccc(F)cc1.
What is the InChIKey of 2-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]-3-methylpentanamide?
The InChIKey is VWPZAWUVSWCJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-4-10(2)14(17)15(19)18-9-13(20-3)11-5-7-12(16)8-6-11/h5-8,10,13-14H,4,9,17H2,1-3H3,(H,18,19).
What are the key properties of 2-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]-3-methylpentanamide?
2-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]-3-methylpentanamide has a molecular weight of 282.36 g/mol, XLogP of 2.00, 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-(4-fluorophenyl)-2-methoxyethyl]-3-methylpentanamide is sourced from PubChem (CID 119817621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).