2-cyclohexyloxy-4-pyridin-3-ylbenzamide

C18H20N2O2 — CID 155525376

IUPAC2-cyclohexyloxy-4-pyridin-3-ylbenzamide
SMILESNC(=O)c1ccc(-c2cccnc2)cc1OC1CCCCC1
InChIInChI=1S/C18H20N2O2/c19-18(21)16-9-8-13(14-5-4-10-20-12-14)11-17(16)22-15-6-2-1-3-7-15/h4-5,8-12,15H,1-3,6-7H2,(H2,19,21)
InChIKeyRRMZWSJUDDSFBE-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.56
Rot. Bonds4

About 2-cyclohexyloxy-4-pyridin-3-ylbenzamide

2-cyclohexyloxy-4-pyridin-3-ylbenzamide (PubChem CID 155525376) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-cyclohexyloxy-4-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name2-cyclohexyloxy-4-pyridin-3-ylbenzamide
PubChem CID155525376
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name2-cyclohexyloxy-4-pyridin-3-ylbenzamide
SMILESNC(=O)c1ccc(-c2cccnc2)cc1OC1CCCCC1
InChIInChI=1S/C18H20N2O2/c19-18(21)16-9-8-13(14-5-4-10-20-12-14)11-17(16)22-15-6-2-1-3-7-15/h4-5,8-12,15H,1-3,6-7H2,(H2,19,21)
InChIKeyRRMZWSJUDDSFBE-UHFFFAOYSA-N
XLogP3.56
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-4-pyridin-3-ylbenzamide?
The IUPAC name of 2-cyclohexyloxy-4-pyridin-3-ylbenzamide (CID 155525376) is 2-cyclohexyloxy-4-pyridin-3-ylbenzamide.
What is the SMILES notation for 2-cyclohexyloxy-4-pyridin-3-ylbenzamide?
The canonical SMILES for 2-cyclohexyloxy-4-pyridin-3-ylbenzamide is NC(=O)c1ccc(-c2cccnc2)cc1OC1CCCCC1.
What is the InChIKey of 2-cyclohexyloxy-4-pyridin-3-ylbenzamide?
The InChIKey is RRMZWSJUDDSFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c19-18(21)16-9-8-13(14-5-4-10-20-12-14)11-17(16)22-15-6-2-1-3-7-15/h4-5,8-12,15H,1-3,6-7H2,(H2,19,21).
What are the key properties of 2-cyclohexyloxy-4-pyridin-3-ylbenzamide?
2-cyclohexyloxy-4-pyridin-3-ylbenzamide has a molecular weight of 296.37 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-4-pyridin-3-ylbenzamide is sourced from PubChem (CID 155525376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).