N-(2,3-dihydro-1H-inden-1-yl)-2-[6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetamide

C30H34N2O4 — CID 10939855

IUPACN-(2,3-dihydro-1H-inden-1-yl)-2-[6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetamide
SMILESCOc1cccc(CC2c3cc(OC)c(OC)cc3CCN2CC(=O)NC2CCc3ccccc32)c1
InChIInChI=1S/C30H34N2O4/c1-34-23-9-6-7-20(15-23)16-27-25-18-29(36-3)28(35-2)17-22(25)13-14-32(27)19-30(33)31-26-12-11-21-8-4-5-10-24(21)26/h4-10,15,17-18,26-27H,11-14,16,19H2,1-3H3,(H,31,33)
InChIKeyIHIKZZHKYNNQTE-UHFFFAOYSA-N
MW486.61 g/mol
LogP4.66
Rot. Bonds8

About N-(2,3-dihydro-1H-inden-1-yl)-2-[6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetamide

N-(2,3-dihydro-1H-inden-1-yl)-2-[6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetamide (PubChem CID 10939855) has the molecular formula C30H34N2O4 and a molecular weight of 486.61 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-1-yl)-2-[6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-1-yl)-2-[6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetamide
PubChem CID10939855
Molecular FormulaC30H34N2O4
Molecular Weight486.61 g/mol
Exact Mass486.25
IUPAC NameN-(2,3-dihydro-1H-inden-1-yl)-2-[6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetamide
SMILESCOc1cccc(CC2c3cc(OC)c(OC)cc3CCN2CC(=O)NC2CCc3ccccc32)c1
InChIInChI=1S/C30H34N2O4/c1-34-23-9-6-7-20(15-23)16-27-25-18-29(36-3)28(35-2)17-22(25)13-14-32(27)19-30(33)31-26-12-11-21-8-4-5-10-24(21)26/h4-10,15,17-18,26-27H,11-14,16,19H2,1-3H3,(H,31,33)
InChIKeyIHIKZZHKYNNQTE-UHFFFAOYSA-N
XLogP4.66
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.61
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-2-[6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-1-yl)-2-[6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetamide (CID 10939855) is N-(2,3-dihydro-1H-inden-1-yl)-2-[6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-1-yl)-2-[6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-1-yl)-2-[6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetamide is COc1cccc(CC2c3cc(OC)c(OC)cc3CCN2CC(=O)NC2CCc3ccccc32)c1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-1-yl)-2-[6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetamide?
The InChIKey is IHIKZZHKYNNQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2O4/c1-34-23-9-6-7-20(15-23)16-27-25-18-29(36-3)28(35-2)17-22(25)13-14-32(27)19-30(33)31-26-12-11-21-8-4-5-10-24(21)26/h4-10,15,17-18,26-27H,11-14,16,19H2,1-3H3,(H,31,33).
What are the key properties of N-(2,3-dihydro-1H-inden-1-yl)-2-[6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetamide?
N-(2,3-dihydro-1H-inden-1-yl)-2-[6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetamide has a molecular weight of 486.61 g/mol, XLogP of 4.66, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-1-yl)-2-[6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]acetamide is sourced from PubChem (CID 10939855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).