N-(1-acetyl-2,3-dihydroindol-7-yl)-3-(1,3-benzodioxol-5-yl)propanamide

C20H20N2O4 — CID 112537184

IUPACN-(1-acetyl-2,3-dihydroindol-7-yl)-3-(1,3-benzodioxol-5-yl)propanamide
SMILESCC(=O)N1CCc2cccc(NC(=O)CCc3ccc4c(c3)OCO4)c21
InChIInChI=1S/C20H20N2O4/c1-13(23)22-10-9-15-3-2-4-16(20(15)22)21-19(24)8-6-14-5-7-17-18(11-14)26-12-25-17/h2-5,7,11H,6,8-10,12H2,1H3,(H,21,24)
InChIKeyVEKVMCVMRSUIPA-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.90
Rot. Bonds4

About N-(1-acetyl-2,3-dihydroindol-7-yl)-3-(1,3-benzodioxol-5-yl)propanamide

N-(1-acetyl-2,3-dihydroindol-7-yl)-3-(1,3-benzodioxol-5-yl)propanamide (PubChem CID 112537184) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-7-yl)-3-(1,3-benzodioxol-5-yl)propanamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-7-yl)-3-(1,3-benzodioxol-5-yl)propanamide
PubChem CID112537184
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC NameN-(1-acetyl-2,3-dihydroindol-7-yl)-3-(1,3-benzodioxol-5-yl)propanamide
SMILESCC(=O)N1CCc2cccc(NC(=O)CCc3ccc4c(c3)OCO4)c21
InChIInChI=1S/C20H20N2O4/c1-13(23)22-10-9-15-3-2-4-16(20(15)22)21-19(24)8-6-14-5-7-17-18(11-14)26-12-25-17/h2-5,7,11H,6,8-10,12H2,1H3,(H,21,24)
InChIKeyVEKVMCVMRSUIPA-UHFFFAOYSA-N
XLogP2.90
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-acetyl-2,3-dihydroindol-7-yl)-3-(4-methoxyphenyl)propanamide
CID 112537172
N-(1-acetyl-2,3-dihydroindol-7-yl)-3-pyridin-4-ylpropanamide
CID 112537187
N-(1-acetyl-2,3-dihydroindol-7-yl)-3-(4-ethoxyphenyl)propanamide
CID 112537173
N-(1-acetyl-2,3-dihydroindol-7-yl)-3-morpholin-4-ylpropanamide
CID 112537116
3-(1,3-benzodioxol-5-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 16574667
3-(1,3-benzodioxol-5-yl)-N-[2-(4-ethylpiperazin-1-yl)phenyl]propanamide
CID 18121767
3-(1,3-benzodioxol-5-yl)-N-(2,6-diethylphenyl)propanamide
CID 16574716
N-(1-acetyl-2,3-dihydroindol-7-yl)-2-(2-methylphenyl)acetamide
CID 112537144
N-(1-acetyl-2,3-dihydroindol-7-yl)-2-methylpropanamide
CID 112537152
2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N-(3-methylphenyl)benzamide
CID 24555317
3-(1,3-benzodioxol-5-yl)-N-[2-methyl-3-(4-methyl-1,2,4-triazol-3-yl)phenyl]propanamide
CID 131924863
N-[3-[3-(1,3-benzodioxol-5-yl)propanoylamino]phenyl]-2-methylpropanamide
CID 55609804

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-7-yl)-3-(1,3-benzodioxol-5-yl)propanamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-7-yl)-3-(1,3-benzodioxol-5-yl)propanamide (CID 112537184) is N-(1-acetyl-2,3-dihydroindol-7-yl)-3-(1,3-benzodioxol-5-yl)propanamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-7-yl)-3-(1,3-benzodioxol-5-yl)propanamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-7-yl)-3-(1,3-benzodioxol-5-yl)propanamide is CC(=O)N1CCc2cccc(NC(=O)CCc3ccc4c(c3)OCO4)c21.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-7-yl)-3-(1,3-benzodioxol-5-yl)propanamide?
The InChIKey is VEKVMCVMRSUIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-13(23)22-10-9-15-3-2-4-16(20(15)22)21-19(24)8-6-14-5-7-17-18(11-14)26-12-25-17/h2-5,7,11H,6,8-10,12H2,1H3,(H,21,24).
What are the key properties of N-(1-acetyl-2,3-dihydroindol-7-yl)-3-(1,3-benzodioxol-5-yl)propanamide?
N-(1-acetyl-2,3-dihydroindol-7-yl)-3-(1,3-benzodioxol-5-yl)propanamide has a molecular weight of 352.39 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2,3-dihydroindol-7-yl)-3-(1,3-benzodioxol-5-yl)propanamide is sourced from PubChem (CID 112537184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).