2-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxybutanamide

C13H19FN2O2 — CID 81350017

IUPAC2-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxybutanamide
SMILESCOCCC(N)C(=O)N[C@@H](C)c1ccc(F)cc1
InChIInChI=1S/C13H19FN2O2/c1-9(10-3-5-11(14)6-4-10)16-13(17)12(15)7-8-18-2/h3-6,9,12H,7-8,15H2,1-2H3,(H,16,17)/t9-,12?/m0/s1
InChIKeyDHMNBCVPLXDBJF-QHGLUPRGSA-N
MW254.30 g/mol
LogP1.37
Rot. Bonds6

About 2-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxybutanamide

2-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxybutanamide (PubChem CID 81350017) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxybutanamide.

Molecular Properties

Compound Name2-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxybutanamide
PubChem CID81350017
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name2-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxybutanamide
SMILESCOCCC(N)C(=O)N[C@@H](C)c1ccc(F)cc1
InChIInChI=1S/C13H19FN2O2/c1-9(10-3-5-11(14)6-4-10)16-13(17)12(15)7-8-18-2/h3-6,9,12H,7-8,15H2,1-2H3,(H,16,17)/t9-,12?/m0/s1
InChIKeyDHMNBCVPLXDBJF-QHGLUPRGSA-N
XLogP1.37
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxybutanamide 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

2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-methoxypentanamide
CID 81349504
2-amino-4-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81363996
2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]-4-methylpentanamide
CID 81348779
2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-4-methoxybutanamide
CID 63008409
(2R)-2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]butanamide
CID 81349306
2-amino-N-[1-(4-fluorophenyl)ethyl]-4-methylsulfonylbutanamide
CID 61249769
2-amino-5-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]pentanamide
CID 81363764
2-amino-N-[1-(3,4-difluorophenyl)ethyl]-5-methoxypentanamide
CID 81082530
2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 81349591
2-amino-N-[1-(4-ethoxyphenyl)ethyl]-5-methoxypentanamide
CID 81070435
2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3-methoxypropanamide
CID 81359920
2-amino-4-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]butanamide
CID 81380450

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxybutanamide?
The IUPAC name of 2-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxybutanamide (CID 81350017) is 2-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxybutanamide.
What is the SMILES notation for 2-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxybutanamide?
The canonical SMILES for 2-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxybutanamide is COCCC(N)C(=O)N[C@@H](C)c1ccc(F)cc1.
What is the InChIKey of 2-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxybutanamide?
The InChIKey is DHMNBCVPLXDBJF-QHGLUPRGSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-9(10-3-5-11(14)6-4-10)16-13(17)12(15)7-8-18-2/h3-6,9,12H,7-8,15H2,1-2H3,(H,16,17)/t9-,12?/m0/s1.
What are the key properties of 2-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxybutanamide?
2-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxybutanamide has a molecular weight of 254.30 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxybutanamide is sourced from PubChem (CID 81350017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).