N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(4-phenylcyclohexyl)acetamide

C20H27NO2 — CID 111661382

IUPACN-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(4-phenylcyclohexyl)acetamide
SMILESO=C(CC1CCC(c2ccccc2)CC1)N[C@@H]1C=C[C@H](CO)C1
InChIInChI=1S/C20H27NO2/c22-14-16-8-11-19(12-16)21-20(23)13-15-6-9-18(10-7-15)17-4-2-1-3-5-17/h1-5,8,11,15-16,18-19,22H,6-7,9-10,12-14H2,(H,21,23)/t15?,16-,18?,19+/m0/s1
InChIKeyKZHVHZJKRIVFOA-DHRZBBNESA-N
MW313.44 g/mol
LogP3.40
Rot. Bonds5

About N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(4-phenylcyclohexyl)acetamide

N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(4-phenylcyclohexyl)acetamide (PubChem CID 111661382) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(4-phenylcyclohexyl)acetamide.

Molecular Properties

Compound NameN-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(4-phenylcyclohexyl)acetamide
PubChem CID111661382
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC NameN-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(4-phenylcyclohexyl)acetamide
SMILESO=C(CC1CCC(c2ccccc2)CC1)N[C@@H]1C=C[C@H](CO)C1
InChIInChI=1S/C20H27NO2/c22-14-16-8-11-19(12-16)21-20(23)13-15-6-9-18(10-7-15)17-4-2-1-3-5-17/h1-5,8,11,15-16,18-19,22H,6-7,9-10,12-14H2,(H,21,23)/t15?,16-,18?,19+/m0/s1
InChIKeyKZHVHZJKRIVFOA-DHRZBBNESA-N
XLogP3.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(4-phenylcyclohexyl)acetamide?
The IUPAC name of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(4-phenylcyclohexyl)acetamide (CID 111661382) is N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(4-phenylcyclohexyl)acetamide.
What is the SMILES notation for N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(4-phenylcyclohexyl)acetamide?
The canonical SMILES for N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(4-phenylcyclohexyl)acetamide is O=C(CC1CCC(c2ccccc2)CC1)N[C@@H]1C=C[C@H](CO)C1.
What is the InChIKey of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(4-phenylcyclohexyl)acetamide?
The InChIKey is KZHVHZJKRIVFOA-DHRZBBNESA-N. The full InChI is InChI=1S/C20H27NO2/c22-14-16-8-11-19(12-16)21-20(23)13-15-6-9-18(10-7-15)17-4-2-1-3-5-17/h1-5,8,11,15-16,18-19,22H,6-7,9-10,12-14H2,(H,21,23)/t15?,16-,18?,19+/m0/s1.
What are the key properties of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(4-phenylcyclohexyl)acetamide?
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(4-phenylcyclohexyl)acetamide has a molecular weight of 313.44 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(4-phenylcyclohexyl)acetamide is sourced from PubChem (CID 111661382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).