N-[2-(cyclohexen-1-yl)ethyl]-3-pyridin-2-yloxybenzamide

C20H22N2O2 — CID 71809890

IUPACN-[2-(cyclohexen-1-yl)ethyl]-3-pyridin-2-yloxybenzamide
SMILESO=C(NCCC1=CCCCC1)c1cccc(Oc2ccccn2)c1
InChIInChI=1S/C20H22N2O2/c23-20(22-14-12-16-7-2-1-3-8-16)17-9-6-10-18(15-17)24-19-11-4-5-13-21-19/h4-7,9-11,13,15H,1-3,8,12,14H2,(H,22,23)
InChIKeyLEIAGKUUCRZZRW-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.49
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-3-pyridin-2-yloxybenzamide

N-[2-(cyclohexen-1-yl)ethyl]-3-pyridin-2-yloxybenzamide (PubChem CID 71809890) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-3-pyridin-2-yloxybenzamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-3-pyridin-2-yloxybenzamide
PubChem CID71809890
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-3-pyridin-2-yloxybenzamide
SMILESO=C(NCCC1=CCCCC1)c1cccc(Oc2ccccn2)c1
InChIInChI=1S/C20H22N2O2/c23-20(22-14-12-16-7-2-1-3-8-16)17-9-6-10-18(15-17)24-19-11-4-5-13-21-19/h4-7,9-11,13,15H,1-3,8,12,14H2,(H,22,23)
InChIKeyLEIAGKUUCRZZRW-UHFFFAOYSA-N
XLogP4.49
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109052433
N-[2-(cyclohexen-1-yl)ethyl]-3-[6-(3-methoxyphenoxy)pyridazin-3-yl]benzamide
CID 46387080
N-octyl-3-pyridin-2-yloxybenzamide
CID 90596511
N-[2-(cyclohexen-1-yl)ethyl]pyridine-3-carboxamide;hydrochloride
CID 110755256
1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-[2-(dimethylamino)ethyl]benzene-1,3-dicarboxamide
CID 109052412
1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-(2-fluorophenyl)benzene-1,3-dicarboxamide
CID 109052462
4-N-[2-(cyclohexen-1-yl)ethyl]-2-N-phenylpyridine-2,4-dicarboxamide
CID 109081989
N-[2-(cyclohexen-1-yl)ethyl]-3-hydroxypyridine-2-carboxamide
CID 113229799
N-[2-(3-hydroxyoxan-3-yl)ethyl]-3-pyridin-2-yloxybenzamide
CID 166248975
N-(2,3-dihydro-1H-inden-2-yl)-3-pyridin-2-yloxybenzamide
CID 90596546
1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 109052430
3-N-[2-(cyclohexen-1-yl)ethyl]-1-N-[3-(dimethylamino)propyl]benzene-1,3-dicarboxamide
CID 109052414

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-pyridin-2-yloxybenzamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-pyridin-2-yloxybenzamide (CID 71809890) is N-[2-(cyclohexen-1-yl)ethyl]-3-pyridin-2-yloxybenzamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-3-pyridin-2-yloxybenzamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-3-pyridin-2-yloxybenzamide is O=C(NCCC1=CCCCC1)c1cccc(Oc2ccccn2)c1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-3-pyridin-2-yloxybenzamide?
The InChIKey is LEIAGKUUCRZZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c23-20(22-14-12-16-7-2-1-3-8-16)17-9-6-10-18(15-17)24-19-11-4-5-13-21-19/h4-7,9-11,13,15H,1-3,8,12,14H2,(H,22,23).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-3-pyridin-2-yloxybenzamide?
N-[2-(cyclohexen-1-yl)ethyl]-3-pyridin-2-yloxybenzamide has a molecular weight of 322.41 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-3-pyridin-2-yloxybenzamide is sourced from PubChem (CID 71809890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).