N-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide

C16H15NO3 — CID 718621

IUPACN-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H15NO3/c18-16(17-11-12-4-2-1-3-5-12)13-6-7-14-15(10-13)20-9-8-19-14/h1-7,10H,8-9,11H2,(H,17,18)
InChIKeyJJTHSVZFHVDTNT-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.39
Rot. Bonds3

About N-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide

N-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 718621) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID718621
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC NameN-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H15NO3/c18-16(17-11-12-4-2-1-3-5-12)13-6-7-14-15(10-13)20-9-8-19-14/h1-7,10H,8-9,11H2,(H,17,18)
InChIKeyJJTHSVZFHVDTNT-UHFFFAOYSA-N
XLogP2.39
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide 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

N-(2-phenylethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 16547660
N-[(4-acetamidophenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 18154098
N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 27259757
5-[(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)methyl]furan-2-carboxylic acid
CID 119245819
4-N-(1,3-benzodioxol-5-yl)-1-N-benzylbenzene-1,4-dicarboxamide
CID 109046758
N-[[4-(hydroxymethyl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 107231683
N-[[4-(phenylmethoxymethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 55694577
1-N-(1,3-benzodioxol-5-ylmethyl)-4-N-benzyl-2-(hydroxymethyl)benzene-1,4-dicarboxamide
CID 101221566
N-[[4-(aminomethyl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 60918410
N-(2,2-diphenylpropyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 46637989
N-[(3-bromophenyl)methyl]-1,3-benzodioxole-5-carboxamide
CID 60739897
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 27761306

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 718621) is N-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide is O=C(NCc1ccccc1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is JJTHSVZFHVDTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c18-16(17-11-12-4-2-1-3-5-12)13-6-7-14-15(10-13)20-9-8-19-14/h1-7,10H,8-9,11H2,(H,17,18).
What are the key properties of N-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 269.30 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 718621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).