N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methylpropanoylamino)benzamide

C19H20N2O4 — CID 890321

IUPACN-(1,3-benzodioxol-5-ylmethyl)-3-(2-methylpropanoylamino)benzamide
SMILESCC(C)C(=O)Nc1cccc(C(=O)NCc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C19H20N2O4/c1-12(2)18(22)21-15-5-3-4-14(9-15)19(23)20-10-13-6-7-16-17(8-13)25-11-24-16/h3-9,12H,10-11H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyRQPGDGVREDWZAM-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.94
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methylpropanoylamino)benzamide

N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methylpropanoylamino)benzamide (PubChem CID 890321) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-3-(2-methylpropanoylamino)benzamide
PubChem CID890321
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-3-(2-methylpropanoylamino)benzamide
SMILESCC(C)C(=O)Nc1cccc(C(=O)NCc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C19H20N2O4/c1-12(2)18(22)21-15-5-3-4-14(9-15)19(23)20-10-13-6-7-16-17(8-13)25-11-24-16/h3-9,12H,10-11H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyRQPGDGVREDWZAM-UHFFFAOYSA-N
XLogP2.94
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methylpropanoylamino)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

Ecabapide
CID 65885
1-(4-(4-(Benzo[d][1,3]dioxole-5-carbonyl)piperazin-1-yl)phenyl)ethanone
CID 1245700
N-(2-phenylethyl)-1,3-benzodioxole-5-carboxamide
CID 669595
N-cyclohexyl-1,3-benzodioxole-5-carboxamide
CID 669586
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)-3-(2-methylpropanoylamino)benzamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methylpropanoylamino)benzamide (CID 890321) is N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methylpropanoylamino)benzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methylpropanoylamino)benzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methylpropanoylamino)benzamide is CC(C)C(=O)Nc1cccc(C(=O)NCc2ccc3c(c2)OCO3)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methylpropanoylamino)benzamide?
The InChIKey is RQPGDGVREDWZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-12(2)18(22)21-15-5-3-4-14(9-15)19(23)20-10-13-6-7-16-17(8-13)25-11-24-16/h3-9,12H,10-11H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methylpropanoylamino)benzamide?
N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methylpropanoylamino)benzamide has a molecular weight of 340.38 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methylpropanoylamino)benzamide is sourced from PubChem (CID 890321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).