3-[3-(cyclohexylamino)oxyphenyl]benzamide

C19H22N2O2 — CID 90125063

IUPAC3-[3-(cyclohexylamino)oxyphenyl]benzamide
SMILESNC(=O)c1cccc(-c2cccc(ONC3CCCCC3)c2)c1
InChIInChI=1S/C19H22N2O2/c20-19(22)16-8-4-6-14(12-16)15-7-5-11-18(13-15)23-21-17-9-2-1-3-10-17/h4-8,11-13,17,21H,1-3,9-10H2,(H2,20,22)
InChIKeyKLPKSNMSTFAYMR-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.67
Rot. Bonds5

About 3-[3-(cyclohexylamino)oxyphenyl]benzamide

3-[3-(cyclohexylamino)oxyphenyl]benzamide (PubChem CID 90125063) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 3-[3-(cyclohexylamino)oxyphenyl]benzamide.

Molecular Properties

Compound Name3-[3-(cyclohexylamino)oxyphenyl]benzamide
PubChem CID90125063
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name3-[3-(cyclohexylamino)oxyphenyl]benzamide
SMILESNC(=O)c1cccc(-c2cccc(ONC3CCCCC3)c2)c1
InChIInChI=1S/C19H22N2O2/c20-19(22)16-8-4-6-14(12-16)15-7-5-11-18(13-15)23-21-17-9-2-1-3-10-17/h4-8,11-13,17,21H,1-3,9-10H2,(H2,20,22)
InChIKeyKLPKSNMSTFAYMR-UHFFFAOYSA-N
XLogP3.67
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3-carbamoylphenyl)phenyl]-N-cyclohexylcarbamate
CID 71302923
3-cyclopentyloxybenzamide
CID 71932153
[3-(3-carbamoylphenyl)-4-(dihydroxymethyl)phenyl] N-cyclohexylcarbamate
CID 126735819
2-(cyclohexylamino)oxy-2-hydroxy-1-[4-(3-methoxyphenyl)phenyl]ethanone
CID 57232180
4-[3-(oxan-2-yloxy)phenyl]benzamide
CID 139985514
(3-phenylphenyl) N-cyclopentylcarbamate
CID 24881674
3-[[2-(cyclohexylamino)-2-oxoethyl]amino]benzamide
CID 54842743
3-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]benzamide
CID 103600833
(cyclohexylamino) 3-nitrobenzoate
CID 87667108
3-[3-[2-(cyclohexylmethylamino)ethyl]phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 68603863
[3-(3-formamidophenyl)phenyl] N-cyclohexylcarbamate
CID 87277524
3-[2-amino-5-(cyclopropylamino)thiophen-3-yl]benzamide
CID 69302899

Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclohexylamino)oxyphenyl]benzamide?
The IUPAC name of 3-[3-(cyclohexylamino)oxyphenyl]benzamide (CID 90125063) is 3-[3-(cyclohexylamino)oxyphenyl]benzamide.
What is the SMILES notation for 3-[3-(cyclohexylamino)oxyphenyl]benzamide?
The canonical SMILES for 3-[3-(cyclohexylamino)oxyphenyl]benzamide is NC(=O)c1cccc(-c2cccc(ONC3CCCCC3)c2)c1.
What is the InChIKey of 3-[3-(cyclohexylamino)oxyphenyl]benzamide?
The InChIKey is KLPKSNMSTFAYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c20-19(22)16-8-4-6-14(12-16)15-7-5-11-18(13-15)23-21-17-9-2-1-3-10-17/h4-8,11-13,17,21H,1-3,9-10H2,(H2,20,22).
What are the key properties of 3-[3-(cyclohexylamino)oxyphenyl]benzamide?
3-[3-(cyclohexylamino)oxyphenyl]benzamide has a molecular weight of 310.40 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(cyclohexylamino)oxyphenyl]benzamide is sourced from PubChem (CID 90125063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).