2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-4-methoxybutanamide

C14H21FN2O2 — CID 63008409

IUPAC2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-4-methoxybutanamide
SMILESCOCCC(N)C(=O)NC(C)Cc1ccc(F)cc1
InChIInChI=1S/C14H21FN2O2/c1-10(9-11-3-5-12(15)6-4-11)17-14(18)13(16)7-8-19-2/h3-6,10,13H,7-9,16H2,1-2H3,(H,17,18)
InChIKeyOMLRDZGVEMPLIU-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.24
Rot. Bonds7

About 2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-4-methoxybutanamide

2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-4-methoxybutanamide (PubChem CID 63008409) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-4-methoxybutanamide.

Molecular Properties

Compound Name2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-4-methoxybutanamide
PubChem CID63008409
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-4-methoxybutanamide
SMILESCOCCC(N)C(=O)NC(C)Cc1ccc(F)cc1
InChIInChI=1S/C14H21FN2O2/c1-10(9-11-3-5-12(15)6-4-11)17-14(18)13(16)7-8-19-2/h3-6,10,13H,7-9,16H2,1-2H3,(H,17,18)
InChIKeyOMLRDZGVEMPLIU-UHFFFAOYSA-N
XLogP1.24
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxybutanamide
CID 81350017
3-amino-4-[1-(4-fluorophenyl)propan-2-ylamino]-4-oxobutanoic acid
CID 64894788
(2R)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]propanamide
CID 78919872
2-amino-N-[1-(3-chlorophenyl)propan-2-yl]-4-methoxybutanamide
CID 62473376
(2S)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-3-methylbutanamide
CID 63009308
(2R)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-3-methylbutanamide
CID 79012581
methyl (2S,4S)-5-[1-(4-fluorophenyl)propan-2-ylamino]-2-methyl-4-(methylamino)-5-oxopentanoate
CID 126627391
2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-3,3-dimethylbutanamide
CID 76981965
methyl N-[1-[1-(4-fluorophenyl)propan-2-ylamino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 47077305
2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-methoxypentanamide
CID 81349504
2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-4-methoxybutanamide
CID 63261191
2-bromo-N-[1-(4-fluorophenyl)propan-2-yl]butanamide
CID 62994798

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-4-methoxybutanamide?
The IUPAC name of 2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-4-methoxybutanamide (CID 63008409) is 2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-4-methoxybutanamide.
What is the SMILES notation for 2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-4-methoxybutanamide?
The canonical SMILES for 2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-4-methoxybutanamide is COCCC(N)C(=O)NC(C)Cc1ccc(F)cc1.
What is the InChIKey of 2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-4-methoxybutanamide?
The InChIKey is OMLRDZGVEMPLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-10(9-11-3-5-12(15)6-4-11)17-14(18)13(16)7-8-19-2/h3-6,10,13H,7-9,16H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-4-methoxybutanamide?
2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-4-methoxybutanamide has a molecular weight of 268.33 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-4-methoxybutanamide is sourced from PubChem (CID 63008409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).