2-aminooxy-4-cyclohexyl-N-[2-(4-fluorophenyl)ethyl]butanamide

C18H27FN2O2 — CID 166684357

IUPAC2-aminooxy-4-cyclohexyl-N-[2-(4-fluorophenyl)ethyl]butanamide
SMILESNOC(CCC1CCCCC1)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C18H27FN2O2/c19-16-9-6-15(7-10-16)12-13-21-18(22)17(23-20)11-8-14-4-2-1-3-5-14/h6-7,9-10,14,17H,1-5,8,11-13,20H2,(H,21,22)
InChIKeyGZJGZJQVEZZEFG-UHFFFAOYSA-N
MW322.42 g/mol
LogP3.10
Rot. Bonds8

About 2-aminooxy-4-cyclohexyl-N-[2-(4-fluorophenyl)ethyl]butanamide

2-aminooxy-4-cyclohexyl-N-[2-(4-fluorophenyl)ethyl]butanamide (PubChem CID 166684357) has the molecular formula C18H27FN2O2 and a molecular weight of 322.42 g/mol. Its IUPAC name is 2-aminooxy-4-cyclohexyl-N-[2-(4-fluorophenyl)ethyl]butanamide.

Molecular Properties

Compound Name2-aminooxy-4-cyclohexyl-N-[2-(4-fluorophenyl)ethyl]butanamide
PubChem CID166684357
Molecular FormulaC18H27FN2O2
Molecular Weight322.42 g/mol
Exact Mass322.21
IUPAC Name2-aminooxy-4-cyclohexyl-N-[2-(4-fluorophenyl)ethyl]butanamide
SMILESNOC(CCC1CCCCC1)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C18H27FN2O2/c19-16-9-6-15(7-10-16)12-13-21-18(22)17(23-20)11-8-14-4-2-1-3-5-14/h6-7,9-10,14,17H,1-5,8,11-13,20H2,(H,21,22)
InChIKeyGZJGZJQVEZZEFG-UHFFFAOYSA-N
XLogP3.10
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-aminooxy-4-cyclohexyl-N-[2-(4-fluorophenyl)ethyl]butanamide 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

[(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] cyclohexanecarboxylate
CID 7958995
N-(cyclopentylmethyl)-2-(4-fluorophenyl)ethanamine
CID 61342806
N'-cyclododecyl-N-[2-(4-fluorophenyl)ethyl]oxamide
CID 108517458
(2S)-2-(azepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 94697489
4-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 66671060
N-(cyclohexylmethyl)-2-(4-fluorophenyl)acetamide
CID 83278373
3-cyclohexyl-N-[(4-fluorophenyl)methyl]propanamide
CID 803650
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(3-methylbutyl)cyclohexane-1,4-dicarboxamide
CID 109149096
N-(cyclohexylmethyl)-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide
CID 24678029
N-[2-(4-fluorophenyl)ethyl]-2-methylpentanamide
CID 78770059
(2S)-2-amino-N-[2-(4-fluorophenyl)ethyl]butanamide;hydrochloride
CID 119263958
2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 26796067

Frequently Asked Questions

What is the IUPAC name of 2-aminooxy-4-cyclohexyl-N-[2-(4-fluorophenyl)ethyl]butanamide?
The IUPAC name of 2-aminooxy-4-cyclohexyl-N-[2-(4-fluorophenyl)ethyl]butanamide (CID 166684357) is 2-aminooxy-4-cyclohexyl-N-[2-(4-fluorophenyl)ethyl]butanamide.
What is the SMILES notation for 2-aminooxy-4-cyclohexyl-N-[2-(4-fluorophenyl)ethyl]butanamide?
The canonical SMILES for 2-aminooxy-4-cyclohexyl-N-[2-(4-fluorophenyl)ethyl]butanamide is NOC(CCC1CCCCC1)C(=O)NCCc1ccc(F)cc1.
What is the InChIKey of 2-aminooxy-4-cyclohexyl-N-[2-(4-fluorophenyl)ethyl]butanamide?
The InChIKey is GZJGZJQVEZZEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O2/c19-16-9-6-15(7-10-16)12-13-21-18(22)17(23-20)11-8-14-4-2-1-3-5-14/h6-7,9-10,14,17H,1-5,8,11-13,20H2,(H,21,22).
What are the key properties of 2-aminooxy-4-cyclohexyl-N-[2-(4-fluorophenyl)ethyl]butanamide?
2-aminooxy-4-cyclohexyl-N-[2-(4-fluorophenyl)ethyl]butanamide has a molecular weight of 322.42 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminooxy-4-cyclohexyl-N-[2-(4-fluorophenyl)ethyl]butanamide is sourced from PubChem (CID 166684357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).