N-(4-hydroxycyclohexyl)-3-(2-phenylethyl)cyclohexane-1-carboxamide

C21H31NO2 — CID 166625728

IUPACN-(4-hydroxycyclohexyl)-3-(2-phenylethyl)cyclohexane-1-carboxamide
SMILESO=C(NC1CCC(O)CC1)C1CCCC(CCc2ccccc2)C1
InChIInChI=1S/C21H31NO2/c23-20-13-11-19(12-14-20)22-21(24)18-8-4-7-17(15-18)10-9-16-5-2-1-3-6-16/h1-3,5-6,17-20,23H,4,7-15H2,(H,22,24)
InChIKeyOSOSLJKCZHOIDJ-UHFFFAOYSA-N
MW329.48 g/mol
LogP3.85
Rot. Bonds5

About N-(4-hydroxycyclohexyl)-3-(2-phenylethyl)cyclohexane-1-carboxamide

N-(4-hydroxycyclohexyl)-3-(2-phenylethyl)cyclohexane-1-carboxamide (PubChem CID 166625728) has the molecular formula C21H31NO2 and a molecular weight of 329.48 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-3-(2-phenylethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-3-(2-phenylethyl)cyclohexane-1-carboxamide
PubChem CID166625728
Molecular FormulaC21H31NO2
Molecular Weight329.48 g/mol
Exact Mass329.24
IUPAC NameN-(4-hydroxycyclohexyl)-3-(2-phenylethyl)cyclohexane-1-carboxamide
SMILESO=C(NC1CCC(O)CC1)C1CCCC(CCc2ccccc2)C1
InChIInChI=1S/C21H31NO2/c23-20-13-11-19(12-14-20)22-21(24)18-8-4-7-17(15-18)10-9-16-5-2-1-3-6-16/h1-3,5-6,17-20,23H,4,7-15H2,(H,22,24)
InChIKeyOSOSLJKCZHOIDJ-UHFFFAOYSA-N
XLogP3.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.48
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-3-(2-phenylethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-3-(2-phenylethyl)cyclohexane-1-carboxamide (CID 166625728) is N-(4-hydroxycyclohexyl)-3-(2-phenylethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-3-(2-phenylethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-3-(2-phenylethyl)cyclohexane-1-carboxamide is O=C(NC1CCC(O)CC1)C1CCCC(CCc2ccccc2)C1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-3-(2-phenylethyl)cyclohexane-1-carboxamide?
The InChIKey is OSOSLJKCZHOIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO2/c23-20-13-11-19(12-14-20)22-21(24)18-8-4-7-17(15-18)10-9-16-5-2-1-3-6-16/h1-3,5-6,17-20,23H,4,7-15H2,(H,22,24).
What are the key properties of N-(4-hydroxycyclohexyl)-3-(2-phenylethyl)cyclohexane-1-carboxamide?
N-(4-hydroxycyclohexyl)-3-(2-phenylethyl)cyclohexane-1-carboxamide has a molecular weight of 329.48 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-3-(2-phenylethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 166625728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).