4-benzyl-N-(4-hydroxycyclohexyl)cyclohexane-1-carboxamide

C20H29NO2 — CID 166625783

IUPAC4-benzyl-N-(4-hydroxycyclohexyl)cyclohexane-1-carboxamide
SMILESO=C(NC1CCC(O)CC1)C1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C20H29NO2/c22-19-12-10-18(11-13-19)21-20(23)17-8-6-16(7-9-17)14-15-4-2-1-3-5-15/h1-5,16-19,22H,6-14H2,(H,21,23)
InChIKeyPSEXACFILAINCH-UHFFFAOYSA-N
MW315.46 g/mol
LogP3.46
Rot. Bonds4

About 4-benzyl-N-(4-hydroxycyclohexyl)cyclohexane-1-carboxamide

4-benzyl-N-(4-hydroxycyclohexyl)cyclohexane-1-carboxamide (PubChem CID 166625783) has the molecular formula C20H29NO2 and a molecular weight of 315.46 g/mol. Its IUPAC name is 4-benzyl-N-(4-hydroxycyclohexyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-(4-hydroxycyclohexyl)cyclohexane-1-carboxamide
PubChem CID166625783
Molecular FormulaC20H29NO2
Molecular Weight315.46 g/mol
Exact Mass315.22
IUPAC Name4-benzyl-N-(4-hydroxycyclohexyl)cyclohexane-1-carboxamide
SMILESO=C(NC1CCC(O)CC1)C1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C20H29NO2/c22-19-12-10-18(11-13-19)21-20(23)17-8-6-16(7-9-17)14-15-4-2-1-3-5-15/h1-5,16-19,22H,6-14H2,(H,21,23)
InChIKeyPSEXACFILAINCH-UHFFFAOYSA-N
XLogP3.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(4-hydroxycyclohexyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-benzyl-N-(4-hydroxycyclohexyl)cyclohexane-1-carboxamide (CID 166625783) is 4-benzyl-N-(4-hydroxycyclohexyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-benzyl-N-(4-hydroxycyclohexyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-benzyl-N-(4-hydroxycyclohexyl)cyclohexane-1-carboxamide is O=C(NC1CCC(O)CC1)C1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-N-(4-hydroxycyclohexyl)cyclohexane-1-carboxamide?
The InChIKey is PSEXACFILAINCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO2/c22-19-12-10-18(11-13-19)21-20(23)17-8-6-16(7-9-17)14-15-4-2-1-3-5-15/h1-5,16-19,22H,6-14H2,(H,21,23).
What are the key properties of 4-benzyl-N-(4-hydroxycyclohexyl)cyclohexane-1-carboxamide?
4-benzyl-N-(4-hydroxycyclohexyl)cyclohexane-1-carboxamide has a molecular weight of 315.46 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(4-hydroxycyclohexyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 166625783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).