3-amino-N-(4-cyclopentyloxy-3-fluorophenyl)-2-methylbutanamide

C16H23FN2O2 — CID 120501730

IUPAC3-amino-N-(4-cyclopentyloxy-3-fluorophenyl)-2-methylbutanamide
SMILESCC(N)C(C)C(=O)Nc1ccc(OC2CCCC2)c(F)c1
InChIInChI=1S/C16H23FN2O2/c1-10(11(2)18)16(20)19-12-7-8-15(14(17)9-12)21-13-5-3-4-6-13/h7-11,13H,3-6,18H2,1-2H3,(H,19,20)
InChIKeyHOAXXIUYBYMKRP-UHFFFAOYSA-N
MW294.37 g/mol
LogP3.07
Rot. Bonds5

About 3-amino-N-(4-cyclopentyloxy-3-fluorophenyl)-2-methylbutanamide

3-amino-N-(4-cyclopentyloxy-3-fluorophenyl)-2-methylbutanamide (PubChem CID 120501730) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 3-amino-N-(4-cyclopentyloxy-3-fluorophenyl)-2-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-(4-cyclopentyloxy-3-fluorophenyl)-2-methylbutanamide
PubChem CID120501730
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name3-amino-N-(4-cyclopentyloxy-3-fluorophenyl)-2-methylbutanamide
SMILESCC(N)C(C)C(=O)Nc1ccc(OC2CCCC2)c(F)c1
InChIInChI=1S/C16H23FN2O2/c1-10(11(2)18)16(20)19-12-7-8-15(14(17)9-12)21-13-5-3-4-6-13/h7-11,13H,3-6,18H2,1-2H3,(H,19,20)
InChIKeyHOAXXIUYBYMKRP-UHFFFAOYSA-N
XLogP3.07
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(4-cyclopentyloxy-3-fluorophenyl)propanamide
CID 119336628
3-amino-N-(4-cyclobutyloxy-3-fluorophenyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119811119
2-(6-aminopurin-9-yl)-N-(4-cyclobutyloxy-3-fluorophenyl)propanamide
CID 136553672
(2R)-2-amino-N-(3-chloro-4-cyclopentyloxyphenyl)propanamide;hydrochloride
CID 119302889
1-(4-cyclopentyloxy-3-fluorophenyl)-3-[[(2S)-2-(2-methoxyethoxy)propanoyl]amino]urea
CID 97341856
7-amino-N-(4-cyclopentyloxy-3-fluorophenyl)heptanamide
CID 119806500
1-(4-cyclopentyloxy-3-fluorophenyl)-3-(1-hydroxypentan-3-yl)urea
CID 111475511
dimethyl (E)-2-(4-cyclopentyloxy-3-fluoroanilino)but-2-enedioate
CID 168568895
3-amino-N-(4-cyclobutyloxy-3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119811117
2-amino-N-(4-cyclopentyloxy-3-fluorophenyl)-2-phenylpropanamide
CID 120593524
1-(4-cyclobutyloxy-3-fluorophenyl)-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111750960
3-(4-cyclopentyloxy-3-fluorophenyl)-1-(2-hydroxyethyl)-1-propylurea
CID 111475508

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-cyclopentyloxy-3-fluorophenyl)-2-methylbutanamide?
The IUPAC name of 3-amino-N-(4-cyclopentyloxy-3-fluorophenyl)-2-methylbutanamide (CID 120501730) is 3-amino-N-(4-cyclopentyloxy-3-fluorophenyl)-2-methylbutanamide.
What is the SMILES notation for 3-amino-N-(4-cyclopentyloxy-3-fluorophenyl)-2-methylbutanamide?
The canonical SMILES for 3-amino-N-(4-cyclopentyloxy-3-fluorophenyl)-2-methylbutanamide is CC(N)C(C)C(=O)Nc1ccc(OC2CCCC2)c(F)c1.
What is the InChIKey of 3-amino-N-(4-cyclopentyloxy-3-fluorophenyl)-2-methylbutanamide?
The InChIKey is HOAXXIUYBYMKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-10(11(2)18)16(20)19-12-7-8-15(14(17)9-12)21-13-5-3-4-6-13/h7-11,13H,3-6,18H2,1-2H3,(H,19,20).
What are the key properties of 3-amino-N-(4-cyclopentyloxy-3-fluorophenyl)-2-methylbutanamide?
3-amino-N-(4-cyclopentyloxy-3-fluorophenyl)-2-methylbutanamide has a molecular weight of 294.37 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-cyclopentyloxy-3-fluorophenyl)-2-methylbutanamide is sourced from PubChem (CID 120501730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).