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

C20H29NO2 — CID 166635919

IUPACN-(4-hydroxycyclohexyl)-3-(2-phenylethyl)cyclopentane-1-carboxamide
SMILESO=C(NC1CCC(O)CC1)C1CCC(CCc2ccccc2)C1
InChIInChI=1S/C20H29NO2/c22-19-12-10-18(11-13-19)21-20(23)17-9-8-16(14-17)7-6-15-4-2-1-3-5-15/h1-5,16-19,22H,6-14H2,(H,21,23)
InChIKeyGFRVUMNKHZRHPO-UHFFFAOYSA-N
MW315.46 g/mol
LogP3.46
Rot. Bonds5

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

N-(4-hydroxycyclohexyl)-3-(2-phenylethyl)cyclopentane-1-carboxamide (PubChem CID 166635919) has the molecular formula C20H29NO2 and a molecular weight of 315.46 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-3-(2-phenylethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-3-(2-phenylethyl)cyclopentane-1-carboxamide
PubChem CID166635919
Molecular FormulaC20H29NO2
Molecular Weight315.46 g/mol
Exact Mass315.22
IUPAC NameN-(4-hydroxycyclohexyl)-3-(2-phenylethyl)cyclopentane-1-carboxamide
SMILESO=C(NC1CCC(O)CC1)C1CCC(CCc2ccccc2)C1
InChIInChI=1S/C20H29NO2/c22-19-12-10-18(11-13-19)21-20(23)17-9-8-16(14-17)7-6-15-4-2-1-3-5-15/h1-5,16-19,22H,6-14H2,(H,21,23)
InChIKeyGFRVUMNKHZRHPO-UHFFFAOYSA-N
XLogP3.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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 N-(4-hydroxycyclohexyl)-3-(2-phenylethyl)cyclopentane-1-carboxamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-3-(2-phenylethyl)cyclopentane-1-carboxamide (CID 166635919) is N-(4-hydroxycyclohexyl)-3-(2-phenylethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-3-(2-phenylethyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-3-(2-phenylethyl)cyclopentane-1-carboxamide is O=C(NC1CCC(O)CC1)C1CCC(CCc2ccccc2)C1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-3-(2-phenylethyl)cyclopentane-1-carboxamide?
The InChIKey is GFRVUMNKHZRHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO2/c22-19-12-10-18(11-13-19)21-20(23)17-9-8-16(14-17)7-6-15-4-2-1-3-5-15/h1-5,16-19,22H,6-14H2,(H,21,23).
What are the key properties of N-(4-hydroxycyclohexyl)-3-(2-phenylethyl)cyclopentane-1-carboxamide?
N-(4-hydroxycyclohexyl)-3-(2-phenylethyl)cyclopentane-1-carboxamide has a molecular weight of 315.46 g/mol, XLogP of 3.46, 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)cyclopentane-1-carboxamide is sourced from PubChem (CID 166635919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).