N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-phenylpentanamide

C20H23NO3 — CID 42905702

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-phenylpentanamide
SMILESCCCC(C(=O)NCc1ccc2c(c1)OCCO2)c1ccccc1
InChIInChI=1S/C20H23NO3/c1-2-6-17(16-7-4-3-5-8-16)20(22)21-14-15-9-10-18-19(13-15)24-12-11-23-18/h3-5,7-10,13,17H,2,6,11-12,14H2,1H3,(H,21,22)
InChIKeyQUJWURWMEPMVBV-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.66
Rot. Bonds6

About N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-phenylpentanamide

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-phenylpentanamide (PubChem CID 42905702) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-phenylpentanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-phenylpentanamide
PubChem CID42905702
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-phenylpentanamide
SMILESCCCC(C(=O)NCc1ccc2c(c1)OCCO2)c1ccccc1
InChIInChI=1S/C20H23NO3/c1-2-6-17(16-7-4-3-5-8-16)20(22)21-14-15-9-10-18-19(13-15)24-12-11-23-18/h3-5,7-10,13,17H,2,6,11-12,14H2,1H3,(H,21,22)
InChIKeyQUJWURWMEPMVBV-UHFFFAOYSA-N
XLogP3.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-phenylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-phenylbutanamide
CID 30476254
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylpentanamide
CID 51866041
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-phenylbutan-1-amine
CID 17156616
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-ethylbutanamide
CID 47097422
2-amino-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-3-oxopropanoic acid
CID 115179287
[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] (2S)-2-phenylbutanoate
CID 7811277
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(methylamino)propanamide
CID 55096613
2-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)butanamide
CID 65229122
(2S)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-phenylpentanamide
CID 41198913
2-phenyl-N-[(4-sulfamoylphenyl)methyl]pentanamide
CID 4878395
N-(1,3-benzodioxol-5-ylmethyl)-2-phenyl-2-phenylsulfanylacetamide
CID 2904025
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-phenylpentanamide
CID 18133869

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-phenylpentanamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-phenylpentanamide (CID 42905702) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-phenylpentanamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-phenylpentanamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-phenylpentanamide is CCCC(C(=O)NCc1ccc2c(c1)OCCO2)c1ccccc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-phenylpentanamide?
The InChIKey is QUJWURWMEPMVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-2-6-17(16-7-4-3-5-8-16)20(22)21-14-15-9-10-18-19(13-15)24-12-11-23-18/h3-5,7-10,13,17H,2,6,11-12,14H2,1H3,(H,21,22).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-phenylpentanamide?
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-phenylpentanamide has a molecular weight of 325.41 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-phenylpentanamide is sourced from PubChem (CID 42905702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).