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

C19H25NO3 — CID 111697096

IUPAC2-cyclopentyloxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-phenylacetamide
SMILESO=C(N[C@@H]1C=C[C@H](CO)C1)C(OC1CCCC1)c1ccccc1
InChIInChI=1S/C19H25NO3/c21-13-14-10-11-16(12-14)20-19(22)18(15-6-2-1-3-7-15)23-17-8-4-5-9-17/h1-3,6-7,10-11,14,16-18,21H,4-5,8-9,12-13H2,(H,20,22)/t14-,16+,18?/m0/s1
InChIKeyQDWKRBPVJUVPOL-QJZXMCBYSA-N
MW315.41 g/mol
LogP2.74
Rot. Bonds6

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

2-cyclopentyloxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-phenylacetamide (PubChem CID 111697096) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 2-cyclopentyloxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-phenylacetamide.

Molecular Properties

Compound Name2-cyclopentyloxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-phenylacetamide
PubChem CID111697096
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name2-cyclopentyloxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-phenylacetamide
SMILESO=C(N[C@@H]1C=C[C@H](CO)C1)C(OC1CCCC1)c1ccccc1
InChIInChI=1S/C19H25NO3/c21-13-14-10-11-16(12-14)20-19(22)18(15-6-2-1-3-7-15)23-17-8-4-5-9-17/h1-3,6-7,10-11,14,16-18,21H,4-5,8-9,12-13H2,(H,20,22)/t14-,16+,18?/m0/s1
InChIKeyQDWKRBPVJUVPOL-QJZXMCBYSA-N
XLogP2.74
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[cyclohexyl(phenyl)methyl]-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 111630645
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 111661791
(2R)-N-(1-acetylpiperidin-4-yl)-2-cyclopentyloxy-2-phenylacetamide
CID 95304150
(2S)-N-[(1R)-cyclohex-2-en-1-yl]-2-methoxy-2-phenylacetamide
CID 10060436
2-cyclohexyloxy-2-phenylacetic acid
CID 43424351
2-cyclopentyloxy-N-[3-(hydroxymethyl)phenyl]-2-phenylacetamide
CID 110923698
4-cyclohexyloxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide
CID 111696841
2-cyclopentyloxy-N-[(1-hydroxycyclopentyl)methyl]-2-phenylacetamide
CID 111332884
methyl (2R)-2-cyclohexyloxy-2-phenylacetate
CID 45114259
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(2-hydroxyphenyl)acetamide
CID 111661488
(2S)-N-[2-(tert-butylamino)-2-oxoethyl]-2-cyclopentyloxy-2-phenylacetamide
CID 95601592
(2R)-2-cyclopentyloxy-2-phenyl-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
CID 95789758

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-phenylacetamide?
The IUPAC name of 2-cyclopentyloxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-phenylacetamide (CID 111697096) is 2-cyclopentyloxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-phenylacetamide.
What is the SMILES notation for 2-cyclopentyloxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-phenylacetamide?
The canonical SMILES for 2-cyclopentyloxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-phenylacetamide is O=C(N[C@@H]1C=C[C@H](CO)C1)C(OC1CCCC1)c1ccccc1.
What is the InChIKey of 2-cyclopentyloxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-phenylacetamide?
The InChIKey is QDWKRBPVJUVPOL-QJZXMCBYSA-N. The full InChI is InChI=1S/C19H25NO3/c21-13-14-10-11-16(12-14)20-19(22)18(15-6-2-1-3-7-15)23-17-8-4-5-9-17/h1-3,6-7,10-11,14,16-18,21H,4-5,8-9,12-13H2,(H,20,22)/t14-,16+,18?/m0/s1.
What are the key properties of 2-cyclopentyloxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-phenylacetamide?
2-cyclopentyloxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-phenylacetamide has a molecular weight of 315.41 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-phenylacetamide is sourced from PubChem (CID 111697096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).