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

C20H21NO2 — CID 111661356

IUPACN-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(4-phenylphenyl)acetamide
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)N[C@@H]1C=C[C@H](CO)C1
InChIInChI=1S/C20H21NO2/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/h1-11,16,19,22H,12-14H2,(H,21,23)/t16-,19+/m0/s1
InChIKeySLAUKHUALUVCIX-QFBILLFUSA-N
MW307.39 g/mol
LogP2.95
Rot. Bonds5

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

N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(4-phenylphenyl)acetamide (PubChem CID 111661356) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(4-phenylphenyl)acetamide.

Molecular Properties

Compound NameN-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(4-phenylphenyl)acetamide
PubChem CID111661356
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC NameN-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(4-phenylphenyl)acetamide
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)N[C@@H]1C=C[C@H](CO)C1
InChIInChI=1S/C20H21NO2/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/h1-11,16,19,22H,12-14H2,(H,21,23)/t16-,19+/m0/s1
InChIKeySLAUKHUALUVCIX-QFBILLFUSA-N
XLogP2.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.95
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-(2-hydroxyphenyl)acetamide
CID 111661488
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[1-(4-phenylphenyl)ethyl]urea
CID 111630345
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(2-phenylethyl)benzamide
CID 111696706
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(4-phenylcyclohexyl)acetamide
CID 111661382
N-[2-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]-2-oxoethyl]-N-methylbenzamide
CID 111696877
N-[4-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]-4-oxobutyl]benzamide
CID 111661232
2-[2-(difluoromethoxy)phenyl]-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide
CID 111696975
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(3-propan-2-yloxyphenyl)acetamide
CID 111696739
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[(4-phenoxyphenyl)methyl]urea
CID 111630846
5-(4-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]furan-2-carboxamide
CID 111661565
N-[4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide;vanadium
CID 162196806
2-(4-phenylphenyl)acetyl chloride
CID 11264727

Frequently Asked Questions

What is the IUPAC name of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(4-phenylphenyl)acetamide?
The IUPAC name of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(4-phenylphenyl)acetamide (CID 111661356) is N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(4-phenylphenyl)acetamide.
What is the SMILES notation for N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(4-phenylphenyl)acetamide?
The canonical SMILES for N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(4-phenylphenyl)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-phenylphenyl)acetamide?
The InChIKey is SLAUKHUALUVCIX-QFBILLFUSA-N. The full InChI is InChI=1S/C20H21NO2/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/h1-11,16,19,22H,12-14H2,(H,21,23)/t16-,19+/m0/s1.
What are the key properties of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(4-phenylphenyl)acetamide?
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(4-phenylphenyl)acetamide has a molecular weight of 307.39 g/mol, XLogP of 2.95, 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-phenylphenyl)acetamide is sourced from PubChem (CID 111661356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).