N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-indol-1-ylacetamide

C21H22N2O3 — CID 125432031

IUPACN-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-indol-1-ylacetamide
SMILESCOc1cc2c(cc1OC)[C@H](NC(=O)Cn1ccc3ccccc31)CC2
InChIInChI=1S/C21H22N2O3/c1-25-19-11-15-7-8-17(16(15)12-20(19)26-2)22-21(24)13-23-10-9-14-5-3-4-6-18(14)23/h3-6,9-12,17H,7-8,13H2,1-2H3,(H,22,24)/t17-/m1/s1
InChIKeySJXOBKAVEOJHHR-QGZVFWFLSA-N
MW350.42 g/mol
LogP3.46
Rot. Bonds5

About N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-indol-1-ylacetamide

N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-indol-1-ylacetamide (PubChem CID 125432031) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-indol-1-ylacetamide.

Molecular Properties

Compound NameN-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-indol-1-ylacetamide
PubChem CID125432031
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-indol-1-ylacetamide
SMILESCOc1cc2c(cc1OC)[C@H](NC(=O)Cn1ccc3ccccc31)CC2
InChIInChI=1S/C21H22N2O3/c1-25-19-11-15-7-8-17(16(15)12-20(19)26-2)22-21(24)13-23-10-9-14-5-3-4-6-18(14)23/h3-6,9-12,17H,7-8,13H2,1-2H3,(H,22,24)/t17-/m1/s1
InChIKeySJXOBKAVEOJHHR-QGZVFWFLSA-N
XLogP3.46
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-(4-phenylimidazol-1-yl)acetamide
CID 125431726
N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-(4-phenylimidazol-1-yl)acetamide
CID 125431725
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-1-methylindole-6-carboxamide
CID 128963064
3-(3-acetylindol-1-yl)-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)propanamide
CID 128963249
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-3-(2-methoxyphenyl)propanamide
CID 110399723
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide
CID 121240337
N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-4-(1-methylindol-3-yl)butanamide
CID 125429552
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
CID 128962659
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(4-fluorophenyl)acetamide
CID 110399683
N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 125432017
2-indol-1-yl-N-[(5R)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide
CID 95740709
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)acetamide
CID 127255333

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-indol-1-ylacetamide?
The IUPAC name of N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-indol-1-ylacetamide (CID 125432031) is N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-indol-1-ylacetamide.
What is the SMILES notation for N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-indol-1-ylacetamide?
The canonical SMILES for N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-indol-1-ylacetamide is COc1cc2c(cc1OC)[C@H](NC(=O)Cn1ccc3ccccc31)CC2.
What is the InChIKey of N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-indol-1-ylacetamide?
The InChIKey is SJXOBKAVEOJHHR-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-25-19-11-15-7-8-17(16(15)12-20(19)26-2)22-21(24)13-23-10-9-14-5-3-4-6-18(14)23/h3-6,9-12,17H,7-8,13H2,1-2H3,(H,22,24)/t17-/m1/s1.
What are the key properties of N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-indol-1-ylacetamide?
N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-indol-1-ylacetamide has a molecular weight of 350.42 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-indol-1-ylacetamide is sourced from PubChem (CID 125432031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).