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

C21H23NO2 — CID 111696706

IUPACN-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(2-phenylethyl)benzamide
SMILESO=C(N[C@@H]1C=C[C@H](CO)C1)c1ccccc1CCc1ccccc1
InChIInChI=1S/C21H23NO2/c23-15-17-11-13-19(14-17)22-21(24)20-9-5-4-8-18(20)12-10-16-6-2-1-3-7-16/h1-9,11,13,17,19,23H,10,12,14-15H2,(H,22,24)/t17-,19+/m0/s1
InChIKeyJXEKKSVDGDIRMV-PKOBYXMFSA-N
MW321.42 g/mol
LogP3.14
Rot. Bonds6

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

N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(2-phenylethyl)benzamide (PubChem CID 111696706) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(2-phenylethyl)benzamide.

Molecular Properties

Compound NameN-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(2-phenylethyl)benzamide
PubChem CID111696706
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC NameN-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(2-phenylethyl)benzamide
SMILESO=C(N[C@@H]1C=C[C@H](CO)C1)c1ccccc1CCc1ccccc1
InChIInChI=1S/C21H23NO2/c23-15-17-11-13-19(14-17)22-21(24)20-9-5-4-8-18(20)12-10-16-6-2-1-3-7-16/h1-9,11,13,17,19,23H,10,12,14-15H2,(H,22,24)/t17-,19+/m0/s1
InChIKeyJXEKKSVDGDIRMV-PKOBYXMFSA-N
XLogP3.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(4-phenylphenyl)acetamide
CID 111661356
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(2-hydroxyphenyl)acetamide
CID 111661488
1-benzyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrazole-4-carboxamide
CID 111696717
4-chloro-1-hydroxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]naphthalene-2-carboxamide
CID 111860717
2,5-difluoro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide
CID 111661638
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide
CID 111661550
5-bromo-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]furan-2-carboxamide
CID 111661261
N-[2-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]-2-oxoethyl]-N-methylbenzamide
CID 111696877
N-[2-(dimethylamino)ethyl]-2-(2-phenylethyl)benzamide
CID 71396924
N'-(4-fluorobenzoyl)-2-(2-phenylethyl)benzohydrazide
CID 55333894
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1H-indazole-3-carboxamide
CID 111661127
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-6-pyrrol-1-ylpyridine-3-carboxamide
CID 111972019

Frequently Asked Questions

What is the IUPAC name of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(2-phenylethyl)benzamide?
The IUPAC name of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(2-phenylethyl)benzamide (CID 111696706) is N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(2-phenylethyl)benzamide.
What is the SMILES notation for N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(2-phenylethyl)benzamide?
The canonical SMILES for N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(2-phenylethyl)benzamide is O=C(N[C@@H]1C=C[C@H](CO)C1)c1ccccc1CCc1ccccc1.
What is the InChIKey of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(2-phenylethyl)benzamide?
The InChIKey is JXEKKSVDGDIRMV-PKOBYXMFSA-N. The full InChI is InChI=1S/C21H23NO2/c23-15-17-11-13-19(14-17)22-21(24)20-9-5-4-8-18(20)12-10-16-6-2-1-3-7-16/h1-9,11,13,17,19,23H,10,12,14-15H2,(H,22,24)/t17-,19+/m0/s1.
What are the key properties of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(2-phenylethyl)benzamide?
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(2-phenylethyl)benzamide has a molecular weight of 321.42 g/mol, XLogP of 3.14, 6 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-(2-phenylethyl)benzamide is sourced from PubChem (CID 111696706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).