2-(cyclohexylamino)oxy-2-hydroxy-1-[4-(3-methoxyphenyl)phenyl]ethanone

C21H25NO4 — CID 57232180

IUPAC2-(cyclohexylamino)oxy-2-hydroxy-1-[4-(3-methoxyphenyl)phenyl]ethanone
SMILESCOc1cccc(-c2ccc(C(=O)C(O)ONC3CCCCC3)cc2)c1
InChIInChI=1S/C21H25NO4/c1-25-19-9-5-6-17(14-19)15-10-12-16(13-11-15)20(23)21(24)26-22-18-7-3-2-4-8-18/h5-6,9-14,18,21-22,24H,2-4,7-8H2,1H3
InChIKeyGNSDWKJJBHRXHG-UHFFFAOYSA-N
MW355.43 g/mol
LogP3.72
Rot. Bonds7

About 2-(cyclohexylamino)oxy-2-hydroxy-1-[4-(3-methoxyphenyl)phenyl]ethanone

2-(cyclohexylamino)oxy-2-hydroxy-1-[4-(3-methoxyphenyl)phenyl]ethanone (PubChem CID 57232180) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is 2-(cyclohexylamino)oxy-2-hydroxy-1-[4-(3-methoxyphenyl)phenyl]ethanone.

Molecular Properties

Compound Name2-(cyclohexylamino)oxy-2-hydroxy-1-[4-(3-methoxyphenyl)phenyl]ethanone
PubChem CID57232180
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name2-(cyclohexylamino)oxy-2-hydroxy-1-[4-(3-methoxyphenyl)phenyl]ethanone
SMILESCOc1cccc(-c2ccc(C(=O)C(O)ONC3CCCCC3)cc2)c1
InChIInChI=1S/C21H25NO4/c1-25-19-9-5-6-17(14-19)15-10-12-16(13-11-15)20(23)21(24)26-22-18-7-3-2-4-8-18/h5-6,9-14,18,21-22,24H,2-4,7-8H2,1H3
InChIKeyGNSDWKJJBHRXHG-UHFFFAOYSA-N
XLogP3.72
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclopentylcarbamoylamino)ethyl]-4-(3-methoxyphenyl)benzamide
CID 134804028
N-cyclohexyl-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509722
3-[3-(cyclohexylamino)oxyphenyl]benzamide
CID 90125063
3-[3-(3-methoxyphenyl)phenyl]-3-oxopropanoic acid
CID 170887222
1-cyclopentyl-3-[1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-3-yl]urea
CID 134802563
N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 16618770
N-[1-[4-(3-methoxyphenyl)benzoyl]piperidin-4-yl]benzamide
CID 134801898
2-(cyclohexylamino)-2-(3-methoxyphenyl)acetic acid
CID 54892787
N-cycloheptyl-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 46342228
cycloheptyl-(3-methoxyphenyl)methanone
CID 65399617
3-methoxy-N-[2-[[4-(3-methoxyphenyl)benzoyl]amino]ethyl]benzamide
CID 134802561
N-cyclopentyl-N'-(3-methoxyphenyl)oxamide
CID 7541556

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)oxy-2-hydroxy-1-[4-(3-methoxyphenyl)phenyl]ethanone?
The IUPAC name of 2-(cyclohexylamino)oxy-2-hydroxy-1-[4-(3-methoxyphenyl)phenyl]ethanone (CID 57232180) is 2-(cyclohexylamino)oxy-2-hydroxy-1-[4-(3-methoxyphenyl)phenyl]ethanone.
What is the SMILES notation for 2-(cyclohexylamino)oxy-2-hydroxy-1-[4-(3-methoxyphenyl)phenyl]ethanone?
The canonical SMILES for 2-(cyclohexylamino)oxy-2-hydroxy-1-[4-(3-methoxyphenyl)phenyl]ethanone is COc1cccc(-c2ccc(C(=O)C(O)ONC3CCCCC3)cc2)c1.
What is the InChIKey of 2-(cyclohexylamino)oxy-2-hydroxy-1-[4-(3-methoxyphenyl)phenyl]ethanone?
The InChIKey is GNSDWKJJBHRXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-25-19-9-5-6-17(14-19)15-10-12-16(13-11-15)20(23)21(24)26-22-18-7-3-2-4-8-18/h5-6,9-14,18,21-22,24H,2-4,7-8H2,1H3.
What are the key properties of 2-(cyclohexylamino)oxy-2-hydroxy-1-[4-(3-methoxyphenyl)phenyl]ethanone?
2-(cyclohexylamino)oxy-2-hydroxy-1-[4-(3-methoxyphenyl)phenyl]ethanone has a molecular weight of 355.43 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)oxy-2-hydroxy-1-[4-(3-methoxyphenyl)phenyl]ethanone is sourced from PubChem (CID 57232180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).