1-(2,2-diphenylethyl)-6,7-dimethoxy-N-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide

C27H30N2O3 — CID 11304981

IUPAC1-(2,2-diphenylethyl)-6,7-dimethoxy-N-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCNC(=O)N1CCc2cc(OC)c(OC)cc2C1CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H30N2O3/c1-28-27(30)29-15-14-21-16-25(31-2)26(32-3)18-23(21)24(29)17-22(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,16,18,22,24H,14-15,17H2,1-3H3,(H,28,30)
InChIKeyWMBXVDNHHDNYRO-UHFFFAOYSA-N
MW430.55 g/mol
LogP5.16
Rot. Bonds6

About 1-(2,2-diphenylethyl)-6,7-dimethoxy-N-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide

1-(2,2-diphenylethyl)-6,7-dimethoxy-N-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 11304981) has the molecular formula C27H30N2O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is 1-(2,2-diphenylethyl)-6,7-dimethoxy-N-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound Name1-(2,2-diphenylethyl)-6,7-dimethoxy-N-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID11304981
Molecular FormulaC27H30N2O3
Molecular Weight430.55 g/mol
Exact Mass430.23
IUPAC Name1-(2,2-diphenylethyl)-6,7-dimethoxy-N-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCNC(=O)N1CCc2cc(OC)c(OC)cc2C1CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H30N2O3/c1-28-27(30)29-15-14-21-16-25(31-2)26(32-3)18-23(21)24(29)17-22(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,16,18,22,24H,14-15,17H2,1-3H3,(H,28,30)
InChIKeyWMBXVDNHHDNYRO-UHFFFAOYSA-N
XLogP5.16
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diphenylethyl)-6,7-dimethoxy-N-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of 1-(2,2-diphenylethyl)-6,7-dimethoxy-N-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 11304981) is 1-(2,2-diphenylethyl)-6,7-dimethoxy-N-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for 1-(2,2-diphenylethyl)-6,7-dimethoxy-N-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for 1-(2,2-diphenylethyl)-6,7-dimethoxy-N-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide is CNC(=O)N1CCc2cc(OC)c(OC)cc2C1CC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(2,2-diphenylethyl)-6,7-dimethoxy-N-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is WMBXVDNHHDNYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O3/c1-28-27(30)29-15-14-21-16-25(31-2)26(32-3)18-23(21)24(29)17-22(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,16,18,22,24H,14-15,17H2,1-3H3,(H,28,30).
What are the key properties of 1-(2,2-diphenylethyl)-6,7-dimethoxy-N-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
1-(2,2-diphenylethyl)-6,7-dimethoxy-N-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 430.55 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diphenylethyl)-6,7-dimethoxy-N-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 11304981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).