4-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]-4-methylpentanamide

C14H21FN2O2 — CID 115157575

IUPAC4-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]-4-methylpentanamide
SMILESCOc1ccc(F)cc1CNC(=O)CCC(C)(C)N
InChIInChI=1S/C14H21FN2O2/c1-14(2,16)7-6-13(18)17-9-10-8-11(15)4-5-12(10)19-3/h4-5,8H,6-7,9,16H2,1-3H3,(H,17,18)
InChIKeyOAZCHDAJPCVWEO-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.97
Rot. Bonds6

About 4-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]-4-methylpentanamide

4-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]-4-methylpentanamide (PubChem CID 115157575) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 4-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]-4-methylpentanamide.

Molecular Properties

Compound Name4-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]-4-methylpentanamide
PubChem CID115157575
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name4-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]-4-methylpentanamide
SMILESCOc1ccc(F)cc1CNC(=O)CCC(C)(C)N
InChIInChI=1S/C14H21FN2O2/c1-14(2,16)7-6-13(18)17-9-10-8-11(15)4-5-12(10)19-3/h4-5,8H,6-7,9,16H2,1-3H3,(H,17,18)
InChIKeyOAZCHDAJPCVWEO-UHFFFAOYSA-N
XLogP1.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]-4-methylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(5-fluoro-2-methoxyphenyl)methylamino]-4-oxobutanoic acid
CID 94691306
3-chloro-N-[(5-fluoro-2-methoxyphenyl)methyl]propanamide
CID 115162483
2-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]acetamide
CID 82126824
5-[(5-fluoro-2-methoxyphenyl)methylamino]-5-oxopentanoic acid
CID 94696058
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 110780208
N-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylbutanamide
CID 110780143
2,2,2-trifluoro-N-[(5-fluoro-2-methoxyphenyl)methyl]acetamide
CID 115190235
3-amino-N-[(2-methoxy-5-methylphenyl)methyl]-3-methylbutanamide
CID 115154960
1-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 115189779
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-oxopropanamide
CID 115175593
4-[(5-fluoro-2-methoxyphenyl)methylamino]-2-methyl-4-oxobutanoic acid
CID 115165071
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-(3-methylphenyl)acetamide
CID 110780202

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]-4-methylpentanamide?
The IUPAC name of 4-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]-4-methylpentanamide (CID 115157575) is 4-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]-4-methylpentanamide.
What is the SMILES notation for 4-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]-4-methylpentanamide?
The canonical SMILES for 4-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]-4-methylpentanamide is COc1ccc(F)cc1CNC(=O)CCC(C)(C)N.
What is the InChIKey of 4-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]-4-methylpentanamide?
The InChIKey is OAZCHDAJPCVWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-14(2,16)7-6-13(18)17-9-10-8-11(15)4-5-12(10)19-3/h4-5,8H,6-7,9,16H2,1-3H3,(H,17,18).
What are the key properties of 4-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]-4-methylpentanamide?
4-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]-4-methylpentanamide has a molecular weight of 268.33 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]-4-methylpentanamide is sourced from PubChem (CID 115157575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).