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

C19H25NO3 — CID 111696841

IUPAC4-cyclohexyloxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide
SMILESO=C(N[C@@H]1C=C[C@H](CO)C1)c1ccc(OC2CCCCC2)cc1
InChIInChI=1S/C19H25NO3/c21-13-14-6-9-16(12-14)20-19(22)15-7-10-18(11-8-15)23-17-4-2-1-3-5-17/h6-11,14,16-17,21H,1-5,12-13H2,(H,20,22)/t14-,16+/m0/s1
InChIKeyXBZVOEXGKBLQIK-GOEBONIOSA-N
MW315.41 g/mol
LogP3.06
Rot. Bonds5

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

4-cyclohexyloxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide (PubChem CID 111696841) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 4-cyclohexyloxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide.

Molecular Properties

Compound Name4-cyclohexyloxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide
PubChem CID111696841
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name4-cyclohexyloxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide
SMILESO=C(N[C@@H]1C=C[C@H](CO)C1)c1ccc(OC2CCCCC2)cc1
InChIInChI=1S/C19H25NO3/c21-13-14-6-9-16(12-14)20-19(22)15-7-10-18(11-8-15)23-17-4-2-1-3-5-17/h6-11,14,16-17,21H,1-5,12-13H2,(H,20,22)/t14-,16+/m0/s1
InChIKeyXBZVOEXGKBLQIK-GOEBONIOSA-N
XLogP3.06
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.06
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

4-cyclohexyloxy-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 110000518
N-(2-aminoethyl)-4-cyclohexyloxybenzamide
CID 110465257
3-(4-chlorophenoxy)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide
CID 110000319
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-6-methylpyridine-3-carboxamide
CID 111661211
4-cyclohexyloxy-N-(2-hydroxypropyl)benzamide
CID 110466236
2-cyclopentyloxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-phenylacetamide
CID 111697096
4-cycloheptyloxybenzamide
CID 141109251
4-cyclopentyloxy-N-(2-methoxyethyl)benzamide
CID 34396260
5-bromo-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]furan-2-carboxamide
CID 111661261
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3H-benzimidazole-5-carboxamide
CID 111697069
1-[3-(cyclohexyloxymethyl)phenyl]-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 111636902
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-4-(pyrazol-1-ylmethyl)benzamide
CID 111661620

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyloxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide?
The IUPAC name of 4-cyclohexyloxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide (CID 111696841) is 4-cyclohexyloxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide.
What is the SMILES notation for 4-cyclohexyloxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide?
The canonical SMILES for 4-cyclohexyloxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide is O=C(N[C@@H]1C=C[C@H](CO)C1)c1ccc(OC2CCCCC2)cc1.
What is the InChIKey of 4-cyclohexyloxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide?
The InChIKey is XBZVOEXGKBLQIK-GOEBONIOSA-N. The full InChI is InChI=1S/C19H25NO3/c21-13-14-6-9-16(12-14)20-19(22)15-7-10-18(11-8-15)23-17-4-2-1-3-5-17/h6-11,14,16-17,21H,1-5,12-13H2,(H,20,22)/t14-,16+/m0/s1.
What are the key properties of 4-cyclohexyloxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide?
4-cyclohexyloxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide has a molecular weight of 315.41 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyloxy-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide is sourced from PubChem (CID 111696841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).