3-cyclohexyl-N-[4-[2-(1-ethylpiperidin-2-yl)ethoxy]phenyl]-4-hydroxybenzamide

C28H38N2O3 — CID 175654809

IUPAC3-cyclohexyl-N-[4-[2-(1-ethylpiperidin-2-yl)ethoxy]phenyl]-4-hydroxybenzamide
SMILESCCN1CCCCC1CCOc1ccc(NC(=O)c2ccc(O)c(C3CCCCC3)c2)cc1
InChIInChI=1S/C28H38N2O3/c1-2-30-18-7-6-10-24(30)17-19-33-25-14-12-23(13-15-25)29-28(32)22-11-16-27(31)26(20-22)21-8-4-3-5-9-21/h11-16,20-21,24,31H,2-10,17-19H2,1H3,(H,29,32)
InChIKeyGWLQMRSJNPPEAQ-UHFFFAOYSA-N
MW450.62 g/mol
LogP6.34
Rot. Bonds8

About 3-cyclohexyl-N-[4-[2-(1-ethylpiperidin-2-yl)ethoxy]phenyl]-4-hydroxybenzamide

3-cyclohexyl-N-[4-[2-(1-ethylpiperidin-2-yl)ethoxy]phenyl]-4-hydroxybenzamide (PubChem CID 175654809) has the molecular formula C28H38N2O3 and a molecular weight of 450.62 g/mol. Its IUPAC name is 3-cyclohexyl-N-[4-[2-(1-ethylpiperidin-2-yl)ethoxy]phenyl]-4-hydroxybenzamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[4-[2-(1-ethylpiperidin-2-yl)ethoxy]phenyl]-4-hydroxybenzamide
PubChem CID175654809
Molecular FormulaC28H38N2O3
Molecular Weight450.62 g/mol
Exact Mass450.29
IUPAC Name3-cyclohexyl-N-[4-[2-(1-ethylpiperidin-2-yl)ethoxy]phenyl]-4-hydroxybenzamide
SMILESCCN1CCCCC1CCOc1ccc(NC(=O)c2ccc(O)c(C3CCCCC3)c2)cc1
InChIInChI=1S/C28H38N2O3/c1-2-30-18-7-6-10-24(30)17-19-33-25-14-12-23(13-15-25)29-28(32)22-11-16-27(31)26(20-22)21-8-4-3-5-9-21/h11-16,20-21,24,31H,2-10,17-19H2,1H3,(H,29,32)
InChIKeyGWLQMRSJNPPEAQ-UHFFFAOYSA-N
XLogP6.34
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.62
LogP ≤ 56.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[4-[2-(1-ethylpiperidin-2-yl)ethoxy]phenyl]-4-hydroxybenzamide?
The IUPAC name of 3-cyclohexyl-N-[4-[2-(1-ethylpiperidin-2-yl)ethoxy]phenyl]-4-hydroxybenzamide (CID 175654809) is 3-cyclohexyl-N-[4-[2-(1-ethylpiperidin-2-yl)ethoxy]phenyl]-4-hydroxybenzamide.
What is the SMILES notation for 3-cyclohexyl-N-[4-[2-(1-ethylpiperidin-2-yl)ethoxy]phenyl]-4-hydroxybenzamide?
The canonical SMILES for 3-cyclohexyl-N-[4-[2-(1-ethylpiperidin-2-yl)ethoxy]phenyl]-4-hydroxybenzamide is CCN1CCCCC1CCOc1ccc(NC(=O)c2ccc(O)c(C3CCCCC3)c2)cc1.
What is the InChIKey of 3-cyclohexyl-N-[4-[2-(1-ethylpiperidin-2-yl)ethoxy]phenyl]-4-hydroxybenzamide?
The InChIKey is GWLQMRSJNPPEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N2O3/c1-2-30-18-7-6-10-24(30)17-19-33-25-14-12-23(13-15-25)29-28(32)22-11-16-27(31)26(20-22)21-8-4-3-5-9-21/h11-16,20-21,24,31H,2-10,17-19H2,1H3,(H,29,32).
What are the key properties of 3-cyclohexyl-N-[4-[2-(1-ethylpiperidin-2-yl)ethoxy]phenyl]-4-hydroxybenzamide?
3-cyclohexyl-N-[4-[2-(1-ethylpiperidin-2-yl)ethoxy]phenyl]-4-hydroxybenzamide has a molecular weight of 450.62 g/mol, XLogP of 6.34, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[4-[2-(1-ethylpiperidin-2-yl)ethoxy]phenyl]-4-hydroxybenzamide is sourced from PubChem (CID 175654809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).