N-(4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

C16H15NO3 — CID 880491

IUPACN-(4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C16H15NO3/c1-11-2-5-13(6-3-11)17-16(18)12-4-7-14-15(10-12)20-9-8-19-14/h2-7,10H,8-9H2,1H3,(H,17,18)
InChIKeyOXQURDRTSMICOG-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.02
Rot. Bonds2

About N-(4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

N-(4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 880491) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-(4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID880491
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC NameN-(4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C16H15NO3/c1-11-2-5-13(6-3-11)17-16(18)12-4-7-14-15(10-12)20-9-8-19-14/h2-7,10H,8-9H2,1H3,(H,17,18)
InChIKeyOXQURDRTSMICOG-UHFFFAOYSA-N
XLogP3.02
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-methylphenyl)-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

4-Methoxy-N-(4-methoxyphenyl)benzamide
CID 346815
VU0357121
CID 2296132
4-Methoxy-N-(3-methylphenyl)benzamide
CID 346046
3,4,5-Trimethoxybenzanilide
CID 305103
N-(4-methoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 321423
3-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)-1-(4-methoxyphenyl)-1-propanone
CID 766936
N-(2-chlorophenyl)-3,4-dimethoxybenzamide
CID 791888
N-(4-Ethoxyphenyl)-4-methoxybenzamide
CID 584690
2,3-Dihydro-N-methyl-N-[2-oxo-2-[(2,3,4-trifluorophenyl)amino]ethyl]-1,4-benzodioxin-6-carboxamide
CID 8001903
N-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 718621
N-(3-acetylphenyl)-3,4,5-trimethoxybenzamide
CID 692750
N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-ethoxybenzamide
CID 739217

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-(4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 880491) is N-(4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is Cc1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of N-(4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is OXQURDRTSMICOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-11-2-5-13(6-3-11)17-16(18)12-4-7-14-15(10-12)20-9-8-19-14/h2-7,10H,8-9H2,1H3,(H,17,18).
What are the key properties of N-(4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-(4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 269.30 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 880491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).