N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-methoxy-3-methyl-1H-indole-2-carboxamide

C22H24N2O4 — CID 125433018

IUPACN-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-methoxy-3-methyl-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)N[C@H]3CCc4cc(OC)c(OC)cc43)c(C)c2c1
InChIInChI=1S/C22H24N2O4/c1-12-15-10-14(26-2)6-8-17(15)23-21(12)22(25)24-18-7-5-13-9-19(27-3)20(28-4)11-16(13)18/h6,8-11,18,23H,5,7H2,1-4H3,(H,24,25)/t18-/m0/s1
InChIKeyGYJRFYCPOSRCDR-SFHVURJKSA-N
MW380.44 g/mol
LogP3.92
Rot. Bonds5

About N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-methoxy-3-methyl-1H-indole-2-carboxamide

N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-methoxy-3-methyl-1H-indole-2-carboxamide (PubChem CID 125433018) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-methoxy-3-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-methoxy-3-methyl-1H-indole-2-carboxamide
PubChem CID125433018
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC NameN-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-methoxy-3-methyl-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)N[C@H]3CCc4cc(OC)c(OC)cc43)c(C)c2c1
InChIInChI=1S/C22H24N2O4/c1-12-15-10-14(26-2)6-8-17(15)23-21(12)22(25)24-18-7-5-13-9-19(27-3)20(28-4)11-16(13)18/h6,8-11,18,23H,5,7H2,1-4H3,(H,24,25)/t18-/m0/s1
InChIKeyGYJRFYCPOSRCDR-SFHVURJKSA-N
XLogP3.92
TPSA72.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-methoxy-3-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-methoxy-3-methyl-1H-indole-2-carboxamide (CID 125433018) is N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-methoxy-3-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-methoxy-3-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-methoxy-3-methyl-1H-indole-2-carboxamide is COc1ccc2[nH]c(C(=O)N[C@H]3CCc4cc(OC)c(OC)cc43)c(C)c2c1.
What is the InChIKey of N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-methoxy-3-methyl-1H-indole-2-carboxamide?
The InChIKey is GYJRFYCPOSRCDR-SFHVURJKSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-12-15-10-14(26-2)6-8-17(15)23-21(12)22(25)24-18-7-5-13-9-19(27-3)20(28-4)11-16(13)18/h6,8-11,18,23H,5,7H2,1-4H3,(H,24,25)/t18-/m0/s1.
What are the key properties of N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-methoxy-3-methyl-1H-indole-2-carboxamide?
N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-methoxy-3-methyl-1H-indole-2-carboxamide has a molecular weight of 380.44 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-methoxy-3-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 125433018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).