2-(1,3-benzodioxol-5-yl)-N-(3,4-dimethoxyphenyl)-1,3-dihydroindene-2-carboxamide

C25H23NO5 — CID 100782978

IUPAC2-(1,3-benzodioxol-5-yl)-N-(3,4-dimethoxyphenyl)-1,3-dihydroindene-2-carboxamide
SMILESCOc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)Cc3ccccc3C2)cc1OC
InChIInChI=1S/C25H23NO5/c1-28-20-10-8-19(12-22(20)29-2)26-24(27)25(13-16-5-3-4-6-17(16)14-25)18-7-9-21-23(11-18)31-15-30-21/h3-12H,13-15H2,1-2H3,(H,26,27)
InChIKeyPXWWJRPBMITBLJ-UHFFFAOYSA-N
MW417.46 g/mol
LogP4.11
Rot. Bonds5

About 2-(1,3-benzodioxol-5-yl)-N-(3,4-dimethoxyphenyl)-1,3-dihydroindene-2-carboxamide

2-(1,3-benzodioxol-5-yl)-N-(3,4-dimethoxyphenyl)-1,3-dihydroindene-2-carboxamide (PubChem CID 100782978) has the molecular formula C25H23NO5 and a molecular weight of 417.46 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-(3,4-dimethoxyphenyl)-1,3-dihydroindene-2-carboxamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N-(3,4-dimethoxyphenyl)-1,3-dihydroindene-2-carboxamide
PubChem CID100782978
Molecular FormulaC25H23NO5
Molecular Weight417.46 g/mol
Exact Mass417.16
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-(3,4-dimethoxyphenyl)-1,3-dihydroindene-2-carboxamide
SMILESCOc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)Cc3ccccc3C2)cc1OC
InChIInChI=1S/C25H23NO5/c1-28-20-10-8-19(12-22(20)29-2)26-24(27)25(13-16-5-3-4-6-17(16)14-25)18-7-9-21-23(11-18)31-15-30-21/h3-12H,13-15H2,1-2H3,(H,26,27)
InChIKeyPXWWJRPBMITBLJ-UHFFFAOYSA-N
XLogP4.11
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.46
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-benzodioxol-5-yl)-N-[3-(2,5-dimethylpyrrol-1-yl)-4-methoxyphenyl]cyclopropane-1-carboxamide
CID 59206689
N-[3-[2-(aminomethyl)phenyl]-4-methoxyphenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen
CID 158070320
1-(1,3-benzodioxol-5-yl)-N-(2-methoxy-5-phenylphenyl)cyclopropane-1-carboxamide
CID 59206321
N-(3,4-dimethoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 16619123
3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methoxyphenyl]-N,N-dimethylbenzamide
CID 59206018
CID 59256231
CID 59256231
3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methoxyphenyl]-N,N-dimethylbenzamide;molecular hydrogen
CID 162131419
1-(1,3-benzodioxol-5-yl)-N-(4-phenoxyphenyl)cyclopropane-1-carboxamide
CID 113198960
1-(1,3-benzodioxol-5-yl)-N-(4-methyl-3-phenylphenyl)cyclopropane-1-carboxamide
CID 59206481
1-(1,3-benzodioxol-5-yl)-N-[4-ethyl-3-(2-methylphenyl)phenyl]cyclopropane-1-carboxamide
CID 59206670
1-(1,3-benzodioxol-5-yl)-N-[4-ethyl-3-[2-(hydroxymethyl)phenyl]phenyl]cyclopropane-1-carboxamide
CID 59206486
N-(1,3-benzodioxol-5-yl)-2-methoxy-5-phenylbenzamide
CID 110426304

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-(3,4-dimethoxyphenyl)-1,3-dihydroindene-2-carboxamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-(3,4-dimethoxyphenyl)-1,3-dihydroindene-2-carboxamide (CID 100782978) is 2-(1,3-benzodioxol-5-yl)-N-(3,4-dimethoxyphenyl)-1,3-dihydroindene-2-carboxamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-(3,4-dimethoxyphenyl)-1,3-dihydroindene-2-carboxamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-(3,4-dimethoxyphenyl)-1,3-dihydroindene-2-carboxamide is COc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)Cc3ccccc3C2)cc1OC.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-(3,4-dimethoxyphenyl)-1,3-dihydroindene-2-carboxamide?
The InChIKey is PXWWJRPBMITBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO5/c1-28-20-10-8-19(12-22(20)29-2)26-24(27)25(13-16-5-3-4-6-17(16)14-25)18-7-9-21-23(11-18)31-15-30-21/h3-12H,13-15H2,1-2H3,(H,26,27).
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-(3,4-dimethoxyphenyl)-1,3-dihydroindene-2-carboxamide?
2-(1,3-benzodioxol-5-yl)-N-(3,4-dimethoxyphenyl)-1,3-dihydroindene-2-carboxamide has a molecular weight of 417.46 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-N-(3,4-dimethoxyphenyl)-1,3-dihydroindene-2-carboxamide is sourced from PubChem (CID 100782978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).