N-benzyl-5-(2,3-dihydro-1,4-benzodioxin-5-yl)pentanamide

C20H23NO3 — CID 54570517

IUPACN-benzyl-5-(2,3-dihydro-1,4-benzodioxin-5-yl)pentanamide
SMILESO=C(CCCCc1cccc2c1OCCO2)NCc1ccccc1
InChIInChI=1S/C20H23NO3/c22-19(21-15-16-7-2-1-3-8-16)12-5-4-9-17-10-6-11-18-20(17)24-14-13-23-18/h1-3,6-8,10-11H,4-5,9,12-15H2,(H,21,22)
InChIKeyZWXPAUSMQZPMPS-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.49
Rot. Bonds7

About N-benzyl-5-(2,3-dihydro-1,4-benzodioxin-5-yl)pentanamide

N-benzyl-5-(2,3-dihydro-1,4-benzodioxin-5-yl)pentanamide (PubChem CID 54570517) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-benzyl-5-(2,3-dihydro-1,4-benzodioxin-5-yl)pentanamide.

Molecular Properties

Compound NameN-benzyl-5-(2,3-dihydro-1,4-benzodioxin-5-yl)pentanamide
PubChem CID54570517
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC NameN-benzyl-5-(2,3-dihydro-1,4-benzodioxin-5-yl)pentanamide
SMILESO=C(CCCCc1cccc2c1OCCO2)NCc1ccccc1
InChIInChI=1S/C20H23NO3/c22-19(21-15-16-7-2-1-3-8-16)12-5-4-9-17-10-6-11-18-20(17)24-14-13-23-18/h1-3,6-8,10-11H,4-5,9,12-15H2,(H,21,22)
InChIKeyZWXPAUSMQZPMPS-UHFFFAOYSA-N
XLogP3.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.49
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-benzyl-2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylsulfinyl)acetamide
CID 71878711
6-(1,3-benzodioxol-4-ylmethylamino)-6-oxohexanoic acid
CID 61211522
N-(1,3-benzodioxol-4-ylmethyl)-5-hydroxypentanamide
CID 79209486
N-(1,3-benzodioxol-4-ylmethyl)-5-chloropentanamide
CID 61210400
6-(benzylamino)-6-oxohexanoic acid
CID 43529432
N-(1,3-benzodioxol-4-ylmethyl)-4-hydroxybutanamide
CID 79192354
5-(3-bromopropyl)-2,3-dihydro-1,4-benzodioxine
CID 11780152
N-benzyl-4-(2-nitrophenyl)butanamide
CID 118501248
N-benzyl-6-oxohexanamide
CID 172715262
N-benzyl-3-(2-hydroxyphenyl)propanamide
CID 3438013
N-benzylundecanamide
CID 5078198
2-(1,3-benzodioxol-4-yl)-N-[(4-chlorophenyl)methyl]acetamide
CID 110851438

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(2,3-dihydro-1,4-benzodioxin-5-yl)pentanamide?
The IUPAC name of N-benzyl-5-(2,3-dihydro-1,4-benzodioxin-5-yl)pentanamide (CID 54570517) is N-benzyl-5-(2,3-dihydro-1,4-benzodioxin-5-yl)pentanamide.
What is the SMILES notation for N-benzyl-5-(2,3-dihydro-1,4-benzodioxin-5-yl)pentanamide?
The canonical SMILES for N-benzyl-5-(2,3-dihydro-1,4-benzodioxin-5-yl)pentanamide is O=C(CCCCc1cccc2c1OCCO2)NCc1ccccc1.
What is the InChIKey of N-benzyl-5-(2,3-dihydro-1,4-benzodioxin-5-yl)pentanamide?
The InChIKey is ZWXPAUSMQZPMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c22-19(21-15-16-7-2-1-3-8-16)12-5-4-9-17-10-6-11-18-20(17)24-14-13-23-18/h1-3,6-8,10-11H,4-5,9,12-15H2,(H,21,22).
What are the key properties of N-benzyl-5-(2,3-dihydro-1,4-benzodioxin-5-yl)pentanamide?
N-benzyl-5-(2,3-dihydro-1,4-benzodioxin-5-yl)pentanamide has a molecular weight of 325.41 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(2,3-dihydro-1,4-benzodioxin-5-yl)pentanamide is sourced from PubChem (CID 54570517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).