2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N-(3-methylphenyl)benzamide

C24H22N2O4 — CID 24555317

IUPAC2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2ccccc2NC(=O)CCc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C24H22N2O4/c1-16-5-4-6-18(13-16)25-24(28)19-7-2-3-8-20(19)26-23(27)12-10-17-9-11-21-22(14-17)30-15-29-21/h2-9,11,13-14H,10,12,15H2,1H3,(H,25,28)(H,26,27)
InChIKeyDIXLELSJYGVOSU-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.55
Rot. Bonds6

About 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N-(3-methylphenyl)benzamide

2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N-(3-methylphenyl)benzamide (PubChem CID 24555317) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound Name2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N-(3-methylphenyl)benzamide
PubChem CID24555317
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Name2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2ccccc2NC(=O)CCc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C24H22N2O4/c1-16-5-4-6-18(13-16)25-24(28)19-7-2-3-8-20(19)26-23(27)12-10-17-9-11-21-22(14-17)30-15-29-21/h2-9,11,13-14H,10,12,15H2,1H3,(H,25,28)(H,26,27)
InChIKeyDIXLELSJYGVOSU-UHFFFAOYSA-N
XLogP4.55
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N-(2-phenylethyl)benzamide
CID 16574742
2-(1,3-benzodioxol-5-yl)-N-(3-methylphenyl)acetamide
CID 40805167
N-(3-methoxyphenyl)-2-[3-(3-methylphenyl)propanoylamino]benzamide
CID 55456678
N-[3-[3-(1,3-benzodioxol-5-yl)propanoylamino]phenyl]-2-methylpropanamide
CID 55609804
N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-methylbenzoyl)amino]benzamide
CID 8873849
N-(2-acetylphenyl)-3-(3-methylphenyl)propanamide
CID 60700220
2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 51278293
N-[2-[3-(1,3-benzodioxol-5-yl)propanoylamino]phenyl]-4-chlorobenzamide
CID 31967410
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methylphenyl)propanamide
CID 51276703
N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(furan-2-yl)propanoylamino]benzamide
CID 9441714
3-(1,3-benzodioxol-5-yl)-N-(2,6-diethylphenyl)propanamide
CID 16574716
2-[[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-(3-methylphenyl)benzamide
CID 55411601

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N-(3-methylphenyl)benzamide?
The IUPAC name of 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N-(3-methylphenyl)benzamide (CID 24555317) is 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N-(3-methylphenyl)benzamide.
What is the SMILES notation for 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N-(3-methylphenyl)benzamide?
The canonical SMILES for 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N-(3-methylphenyl)benzamide is Cc1cccc(NC(=O)c2ccccc2NC(=O)CCc2ccc3c(c2)OCO3)c1.
What is the InChIKey of 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N-(3-methylphenyl)benzamide?
The InChIKey is DIXLELSJYGVOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4/c1-16-5-4-6-18(13-16)25-24(28)19-7-2-3-8-20(19)26-23(27)12-10-17-9-11-21-22(14-17)30-15-29-21/h2-9,11,13-14H,10,12,15H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N-(3-methylphenyl)benzamide?
2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N-(3-methylphenyl)benzamide has a molecular weight of 402.45 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N-(3-methylphenyl)benzamide is sourced from PubChem (CID 24555317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).