N-[4-(1,3-benzodioxol-5-yloxy)cyclohexyl]-2-cyclopent-2-en-1-ylacetamide

C20H25NO4 — CID 176500485

IUPACN-[4-(1,3-benzodioxol-5-yloxy)cyclohexyl]-2-cyclopent-2-en-1-ylacetamide
SMILESO=C(CC1C=CCC1)NC1CCC(Oc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C20H25NO4/c22-20(11-14-3-1-2-4-14)21-15-5-7-16(8-6-15)25-17-9-10-18-19(12-17)24-13-23-18/h1,3,9-10,12,14-16H,2,4-8,11,13H2,(H,21,22)
InChIKeyLZVPUEWVJGYTSA-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.58
Rot. Bonds5

About N-[4-(1,3-benzodioxol-5-yloxy)cyclohexyl]-2-cyclopent-2-en-1-ylacetamide

N-[4-(1,3-benzodioxol-5-yloxy)cyclohexyl]-2-cyclopent-2-en-1-ylacetamide (PubChem CID 176500485) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is N-[4-(1,3-benzodioxol-5-yloxy)cyclohexyl]-2-cyclopent-2-en-1-ylacetamide.

Molecular Properties

Compound NameN-[4-(1,3-benzodioxol-5-yloxy)cyclohexyl]-2-cyclopent-2-en-1-ylacetamide
PubChem CID176500485
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC NameN-[4-(1,3-benzodioxol-5-yloxy)cyclohexyl]-2-cyclopent-2-en-1-ylacetamide
SMILESO=C(CC1C=CCC1)NC1CCC(Oc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C20H25NO4/c22-20(11-14-3-1-2-4-14)21-15-5-7-16(8-6-15)25-17-9-10-18-19(12-17)24-13-23-18/h1,3,9-10,12,14-16H,2,4-8,11,13H2,(H,21,22)
InChIKeyLZVPUEWVJGYTSA-UHFFFAOYSA-N
XLogP3.58
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(1,3-benzodioxol-5-yloxy)cyclohexyl]-2-(2,5-dimethoxyphenyl)acetamide
CID 175642322
N-(1,3-benzodioxol-5-yl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide
CID 9037034
N-(1,3-benzodioxol-5-yl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 9037032
N'-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]-1,3-benzodioxole-5-carbohydrazide
CID 9273889
N'-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]-1,3-benzodioxole-5-carbohydrazide
CID 9273888
N-[4-(1,3-benzodioxol-5-yloxy)cyclohexyl]-1,2-oxazole-5-carboxamide
CID 176505408
1-[4-(1,3-benzodioxol-5-yloxy)cyclohexyl]-3-[(3-fluorophenyl)methyl]urea
CID 175643754
2-cyclopent-2-en-1-yl-N-(4-phenylcyclohexyl)acetamide
CID 75746940
N-cyclopropyl-2-[(6-formyl-1,3-benzodioxol-5-yl)oxy]acetamide
CID 47406497
N-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 17392024
3-[2-(1,3-benzodioxol-5-yloxy)ethylcarbamoylamino]-N-cyclohexylpropanamide
CID 55931080
2-[(1R)-cyclopent-2-en-1-yl]-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 9159559

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzodioxol-5-yloxy)cyclohexyl]-2-cyclopent-2-en-1-ylacetamide?
The IUPAC name of N-[4-(1,3-benzodioxol-5-yloxy)cyclohexyl]-2-cyclopent-2-en-1-ylacetamide (CID 176500485) is N-[4-(1,3-benzodioxol-5-yloxy)cyclohexyl]-2-cyclopent-2-en-1-ylacetamide.
What is the SMILES notation for N-[4-(1,3-benzodioxol-5-yloxy)cyclohexyl]-2-cyclopent-2-en-1-ylacetamide?
The canonical SMILES for N-[4-(1,3-benzodioxol-5-yloxy)cyclohexyl]-2-cyclopent-2-en-1-ylacetamide is O=C(CC1C=CCC1)NC1CCC(Oc2ccc3c(c2)OCO3)CC1.
What is the InChIKey of N-[4-(1,3-benzodioxol-5-yloxy)cyclohexyl]-2-cyclopent-2-en-1-ylacetamide?
The InChIKey is LZVPUEWVJGYTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c22-20(11-14-3-1-2-4-14)21-15-5-7-16(8-6-15)25-17-9-10-18-19(12-17)24-13-23-18/h1,3,9-10,12,14-16H,2,4-8,11,13H2,(H,21,22).
What are the key properties of N-[4-(1,3-benzodioxol-5-yloxy)cyclohexyl]-2-cyclopent-2-en-1-ylacetamide?
N-[4-(1,3-benzodioxol-5-yloxy)cyclohexyl]-2-cyclopent-2-en-1-ylacetamide has a molecular weight of 343.42 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzodioxol-5-yloxy)cyclohexyl]-2-cyclopent-2-en-1-ylacetamide is sourced from PubChem (CID 176500485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).