N-hexyl-3-pyridin-2-yloxybenzamide

C18H22N2O2 — CID 90596510

IUPACN-hexyl-3-pyridin-2-yloxybenzamide
SMILESCCCCCCNC(=O)c1cccc(Oc2ccccn2)c1
InChIInChI=1S/C18H22N2O2/c1-2-3-4-6-13-20-18(21)15-9-8-10-16(14-15)22-17-11-5-7-12-19-17/h5,7-12,14H,2-4,6,13H2,1H3,(H,20,21)
InChIKeyAYJIKDXVUCAPBX-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.18
Rot. Bonds8

About N-hexyl-3-pyridin-2-yloxybenzamide

N-hexyl-3-pyridin-2-yloxybenzamide (PubChem CID 90596510) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-hexyl-3-pyridin-2-yloxybenzamide.

Molecular Properties

Compound NameN-hexyl-3-pyridin-2-yloxybenzamide
PubChem CID90596510
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-hexyl-3-pyridin-2-yloxybenzamide
SMILESCCCCCCNC(=O)c1cccc(Oc2ccccn2)c1
InChIInChI=1S/C18H22N2O2/c1-2-3-4-6-13-20-18(21)15-9-8-10-16(14-15)22-17-11-5-7-12-19-17/h5,7-12,14H,2-4,6,13H2,1H3,(H,20,21)
InChIKeyAYJIKDXVUCAPBX-UHFFFAOYSA-N
XLogP4.18
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-octyl-3-pyridin-2-yloxybenzamide
CID 90596511
N-pentyl-3-(6-phenylpyrimidin-4-yl)oxybenzamide
CID 53021376
3-methoxy-N-tridecylbenzamide
CID 139819898
3-[6-(4-methoxyphenyl)pyrimidin-4-yl]oxy-N-pentylbenzamide
CID 53011517
N-pentyl-3-phenylmethoxybenzamide
CID 112759707
[3-(pentylcarbamoyl)phenyl] acetate
CID 89122347
3-(2-ethoxyethoxy)-N-hexadecylbenzamide
CID 17139521
N-[2-(cyclohexen-1-yl)ethyl]-3-pyridin-2-yloxybenzamide
CID 71809890
N-(2,3-dihydro-1H-inden-2-yl)-3-pyridin-2-yloxybenzamide
CID 90596546
N-[2-(ethylamino)ethyl]-3-pyrazin-2-yloxybenzamide
CID 119506992
3-propoxy-N-[3-[(3-propoxybenzoyl)amino]propyl]benzamide
CID 4960565
N-octylquinoline-6-carboxamide
CID 68863650

Frequently Asked Questions

What is the IUPAC name of N-hexyl-3-pyridin-2-yloxybenzamide?
The IUPAC name of N-hexyl-3-pyridin-2-yloxybenzamide (CID 90596510) is N-hexyl-3-pyridin-2-yloxybenzamide.
What is the SMILES notation for N-hexyl-3-pyridin-2-yloxybenzamide?
The canonical SMILES for N-hexyl-3-pyridin-2-yloxybenzamide is CCCCCCNC(=O)c1cccc(Oc2ccccn2)c1.
What is the InChIKey of N-hexyl-3-pyridin-2-yloxybenzamide?
The InChIKey is AYJIKDXVUCAPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-2-3-4-6-13-20-18(21)15-9-8-10-16(14-15)22-17-11-5-7-12-19-17/h5,7-12,14H,2-4,6,13H2,1H3,(H,20,21).
What are the key properties of N-hexyl-3-pyridin-2-yloxybenzamide?
N-hexyl-3-pyridin-2-yloxybenzamide has a molecular weight of 298.39 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-3-pyridin-2-yloxybenzamide is sourced from PubChem (CID 90596510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).