N-(1,3-benzodioxol-5-ylmethyl)-4-(dimethylamino)benzamide

C17H18N2O3 — CID 787295

IUPACN-(1,3-benzodioxol-5-ylmethyl)-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C17H18N2O3/c1-19(2)14-6-4-13(5-7-14)17(20)18-10-12-3-8-15-16(9-12)22-11-21-15/h3-9H,10-11H2,1-2H3,(H,18,20)
InChIKeyQXDLLHPESDJHCJ-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.41
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-4-(dimethylamino)benzamide

N-(1,3-benzodioxol-5-ylmethyl)-4-(dimethylamino)benzamide (PubChem CID 787295) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-4-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-4-(dimethylamino)benzamide
PubChem CID787295
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C17H18N2O3/c1-19(2)14-6-4-13(5-7-14)17(20)18-10-12-3-8-15-16(9-12)22-11-21-15/h3-9H,10-11H2,1-2H3,(H,18,20)
InChIKeyQXDLLHPESDJHCJ-UHFFFAOYSA-N
XLogP2.41
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1,3-benzodioxol-5-ylmethyl)-4-(dimethylamino)benzamide 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

Graveoline
CID 353825
Ecabapide
CID 65885
1-(4-(4-(Benzo[d][1,3]dioxole-5-carbonyl)piperazin-1-yl)phenyl)ethanone
CID 1245700
N'-{(1E)-[4-(dimethylamino)phenyl]methylene}-1,3-benzodioxole-5-carbohydrazide
CID 6870699
N-(4-methoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 321423
1,2-Dihydro-2-(3,4-(methylenedioxy)-phenyl)-4(3H)-quinazolinone
CID 650393
N-(2-aminophenyl)-4-[[1,3-benzodioxol-5-ylmethyl(2-hydroxyethyl)amino]methyl]benzamide
CID 11690271
1,3-benzodioxol-5-yl(2,3-dihydro-1H-indol-1-yl)methanone
CID 669591
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

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-4-(dimethylamino)benzamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-4-(dimethylamino)benzamide (CID 787295) is N-(1,3-benzodioxol-5-ylmethyl)-4-(dimethylamino)benzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-4-(dimethylamino)benzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-4-(dimethylamino)benzamide is CN(C)c1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-4-(dimethylamino)benzamide?
The InChIKey is QXDLLHPESDJHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-19(2)14-6-4-13(5-7-14)17(20)18-10-12-3-8-15-16(9-12)22-11-21-15/h3-9H,10-11H2,1-2H3,(H,18,20).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-4-(dimethylamino)benzamide?
N-(1,3-benzodioxol-5-ylmethyl)-4-(dimethylamino)benzamide has a molecular weight of 298.34 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-4-(dimethylamino)benzamide is sourced from PubChem (CID 787295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).