N-(3-cyclopentylpropyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide

C20H29NO3 — CID 86944237

IUPACN-(3-cyclopentylpropyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide
SMILESO=C(CCc1ccc2c(c1)OCCCO2)NCCCC1CCCC1
InChIInChI=1S/C20H29NO3/c22-20(21-12-3-7-16-5-1-2-6-16)11-9-17-8-10-18-19(15-17)24-14-4-13-23-18/h8,10,15-16H,1-7,9,11-14H2,(H,21,22)
InChIKeyGKZRKSPHTTWRDZ-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.87
Rot. Bonds7

About N-(3-cyclopentylpropyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide

N-(3-cyclopentylpropyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide (PubChem CID 86944237) has the molecular formula C20H29NO3 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-(3-cyclopentylpropyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide.

Molecular Properties

Compound NameN-(3-cyclopentylpropyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide
PubChem CID86944237
Molecular FormulaC20H29NO3
Molecular Weight331.46 g/mol
Exact Mass331.21
IUPAC NameN-(3-cyclopentylpropyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide
SMILESO=C(CCc1ccc2c(c1)OCCCO2)NCCCC1CCCC1
InChIInChI=1S/C20H29NO3/c22-20(21-12-3-7-16-5-1-2-6-16)11-9-17-8-10-18-19(15-17)24-14-4-13-23-18/h8,10,15-16H,1-7,9,11-14H2,(H,21,22)
InChIKeyGKZRKSPHTTWRDZ-UHFFFAOYSA-N
XLogP3.87
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-(4-fluorophenyl)propanamide
CID 110787903
N-cyclooctyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide
CID 86944075
3-(1,3-benzodioxol-5-yl)-N-(2-cyclopentylsulfanylethyl)propanamide
CID 94101635
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-phenylpropyl)propanamide
CID 31946678
5-cyclohexylsulfinyl-N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]pentanamide
CID 129295790
3-(1,3-benzodioxol-5-yl)-N-(3-hydroxypropyl)propanamide
CID 43417651
3-(1,3-benzodioxol-5-yl)-N-butylpropanamide
CID 53278203
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(piperidin-4-ylmethyl)butanamide
CID 167751742
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylpropanamide
CID 53288864
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 16574553
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]acetamide
CID 110633665
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]propanamide
CID 86945221

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentylpropyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide?
The IUPAC name of N-(3-cyclopentylpropyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide (CID 86944237) is N-(3-cyclopentylpropyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide.
What is the SMILES notation for N-(3-cyclopentylpropyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide?
The canonical SMILES for N-(3-cyclopentylpropyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide is O=C(CCc1ccc2c(c1)OCCCO2)NCCCC1CCCC1.
What is the InChIKey of N-(3-cyclopentylpropyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide?
The InChIKey is GKZRKSPHTTWRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO3/c22-20(21-12-3-7-16-5-1-2-6-16)11-9-17-8-10-18-19(15-17)24-14-4-13-23-18/h8,10,15-16H,1-7,9,11-14H2,(H,21,22).
What are the key properties of N-(3-cyclopentylpropyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide?
N-(3-cyclopentylpropyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide has a molecular weight of 331.46 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentylpropyl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide is sourced from PubChem (CID 86944237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).