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

C18H19NO2 — CID 111661254

IUPACN-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-naphthalen-1-ylacetamide
SMILESO=C(Cc1cccc2ccccc12)N[C@@H]1C=C[C@H](CO)C1
InChIInChI=1S/C18H19NO2/c20-12-13-8-9-16(10-13)19-18(21)11-15-6-3-5-14-4-1-2-7-17(14)15/h1-9,13,16,20H,10-12H2,(H,19,21)/t13-,16+/m0/s1
InChIKeyBVTUYVVETFHYEG-XJKSGUPXSA-N
MW281.35 g/mol
LogP2.44
Rot. Bonds4

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

N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-naphthalen-1-ylacetamide (PubChem CID 111661254) has the molecular formula C18H19NO2 and a molecular weight of 281.35 g/mol. Its IUPAC name is N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-naphthalen-1-ylacetamide
PubChem CID111661254
Molecular FormulaC18H19NO2
Molecular Weight281.35 g/mol
Exact Mass281.14
IUPAC NameN-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-naphthalen-1-ylacetamide
SMILESO=C(Cc1cccc2ccccc12)N[C@@H]1C=C[C@H](CO)C1
InChIInChI=1S/C18H19NO2/c20-12-13-8-9-16(10-13)19-18(21)11-15-6-3-5-14-4-1-2-7-17(14)15/h1-9,13,16,20H,10-12H2,(H,19,21)/t13-,16+/m0/s1
InChIKeyBVTUYVVETFHYEG-XJKSGUPXSA-N
XLogP2.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.44
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
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(9-oxoacridin-10-yl)acetamide
CID 111661798
N-cyclopropyl-2-naphthalen-1-ylacetamide
CID 976036
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(7-methyl-1H-indol-3-yl)propanamide
CID 111696845
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-naphthalen-2-ylurea
CID 111631436
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(2-phenylethyl)benzamide
CID 111696706
N-(3-methylcyclopentyl)-2-naphthalen-1-ylacetamide
CID 114549688
N-[(1R,2R)-2-aminocyclohexyl]-2-naphthalen-1-ylacetamide
CID 93452521
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1H-indazole-3-carboxamide
CID 111661127
3-chloro-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1-benzothiophene-2-carboxamide
CID 111661150
(2R)-2-[(2-naphthalen-1-ylacetyl)amino]propanoic acid
CID 2088738
cis-(1R,2S)-2-methyl-N'-(2-naphthalen-1-ylacetyl)cyclopropane-1-carbohydrazide
CID 42386223

Frequently Asked Questions

What is the IUPAC name of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-naphthalen-1-ylacetamide (CID 111661254) is N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-naphthalen-1-ylacetamide is O=C(Cc1cccc2ccccc12)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-naphthalen-1-ylacetamide?
The InChIKey is BVTUYVVETFHYEG-XJKSGUPXSA-N. The full InChI is InChI=1S/C18H19NO2/c20-12-13-8-9-16(10-13)19-18(21)11-15-6-3-5-14-4-1-2-7-17(14)15/h1-9,13,16,20H,10-12H2,(H,19,21)/t13-,16+/m0/s1.
What are the key properties of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-naphthalen-1-ylacetamide?
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-naphthalen-1-ylacetamide has a molecular weight of 281.35 g/mol, XLogP of 2.44, 4 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-naphthalen-1-ylacetamide is sourced from PubChem (CID 111661254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).