N-(2,5-dimethoxyphenyl)-1,3-benzodioxole-5-carboxamide

C16H15NO5 — CID 775354

IUPACN-(2,5-dimethoxyphenyl)-1,3-benzodioxole-5-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccc3c(c2)OCO3)c1
InChIInChI=1S/C16H15NO5/c1-19-11-4-6-13(20-2)12(8-11)17-16(18)10-3-5-14-15(7-10)22-9-21-14/h3-8H,9H2,1-2H3,(H,17,18)
InChIKeyZLMRUCRAALLRQM-UHFFFAOYSA-N
MW301.30 g/mol
LogP2.68
Rot. Bonds4

About N-(2,5-dimethoxyphenyl)-1,3-benzodioxole-5-carboxamide

N-(2,5-dimethoxyphenyl)-1,3-benzodioxole-5-carboxamide (PubChem CID 775354) has the molecular formula C16H15NO5 and a molecular weight of 301.30 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-1,3-benzodioxole-5-carboxamide
PubChem CID775354
Molecular FormulaC16H15NO5
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC NameN-(2,5-dimethoxyphenyl)-1,3-benzodioxole-5-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccc3c(c2)OCO3)c1
InChIInChI=1S/C16H15NO5/c1-19-11-4-6-13(20-2)12(8-11)17-16(18)10-3-5-14-15(7-10)22-9-21-14/h3-8H,9H2,1-2H3,(H,17,18)
InChIKeyZLMRUCRAALLRQM-UHFFFAOYSA-N
XLogP2.68
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,5-dimethoxyphenyl)-1,3-benzodioxole-5-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-(4-methoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 321423
N-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propanamide
CID 674577
N-(2-carbamoylphenyl)-1,3-benzodioxole-5-carboxamide
CID 803518
N-[4-(diethylamino)phenyl]-1,3-benzodioxole-5-carboxamide
CID 844944
N-[2-(tert-butylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 847830
N-(2-methoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 669590
N-(2H-1,3-benzodioxol-5-yl)benzamide
CID 823562
N-(1,3-benzodioxol-5-yl)-2-(4-formyl-2-methoxyphenoxy)acetamide
CID 2214195
Methylenedioxybenzoyl ethyl PABA
CID 785868
N-(2,5-dimethoxyphenyl)-4-methoxybenzamide
CID 532276
3,4,5-Trimethoxy-N-(2-methoxyphenyl)benzamide
CID 199280
N-(2-Methoxy-5-methylphenyl)-1,3-benzodioxole-5-carboxamide
CID 647869

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-1,3-benzodioxole-5-carboxamide (CID 775354) is N-(2,5-dimethoxyphenyl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-1,3-benzodioxole-5-carboxamide is COc1ccc(OC)c(NC(=O)c2ccc3c(c2)OCO3)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is ZLMRUCRAALLRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO5/c1-19-11-4-6-13(20-2)12(8-11)17-16(18)10-3-5-14-15(7-10)22-9-21-14/h3-8H,9H2,1-2H3,(H,17,18).
What are the key properties of N-(2,5-dimethoxyphenyl)-1,3-benzodioxole-5-carboxamide?
N-(2,5-dimethoxyphenyl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 301.30 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 775354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).