N-benzyl-1-[2-[benzyl(ethyl)amino]-2-oxoethyl]-3-(3,4-dimethoxyphenyl)-N-ethyl-5,6-dimethoxy-2,3-dihydro-1H-indene-2-carboxamide

C40H46N2O6 — CID 70118446

About N-benzyl-1-[2-[benzyl(ethyl)amino]-2-oxoethyl]-3-(3,4-dimethoxyphenyl)-N-ethyl-5,6-dimethoxy-2,3-dihydro-1H-indene-2-carboxamide

N-benzyl-1-[2-[benzyl(ethyl)amino]-2-oxoethyl]-3-(3,4-dimethoxyphenyl)-N-ethyl-5,6-dimethoxy-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 70118446) has the molecular formula C40H46N2O6 and a molecular weight of 650.82 g/mol. Its IUPAC name is N-benzyl-1-[2-[benzyl(ethyl)amino]-2-oxoethyl]-3-(3,4-dimethoxyphenyl)-N-ethyl-5,6-dimethoxy-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

• Compound Name: N-benzyl-1-[2-[benzyl(ethyl)amino]-2-oxoethyl]-3-(3,4-dimethoxyphenyl)-N-ethyl-5,6-dimethoxy-2,3-dihydro-1H-indene-2-carboxamide
• PubChem CID: 70118446
• Molecular Formula: C40H46N2O6
• Molecular Weight: 650.82 g/mol
• Exact Mass: 650.34
• IUPAC Name: N-benzyl-1-[2-[benzyl(ethyl)amino]-2-oxoethyl]-3-(3,4-dimethoxyphenyl)-N-ethyl-5,6-dimethoxy-2,3-dihydro-1H-indene-2-carboxamide
• SMILES: CCN(Cc1ccccc1)C(=O)CC1c2cc(OC)c(OC)cc2C(c2ccc(OC)c(OC)c2)C1C(=O)N(CC)Cc1ccccc1
• InChI: InChI=1S/C40H46N2O6/c1-7-41(25-27-15-11-9-12-16-27)37(43)24-32-30-22-35(47-5)36(48-6)23-31(30)38(29-19-20-33(45-3)34(21-29)46-4)39(32)40(44)42(8-2)26-28-17-13-10-14-18-28/h9-23,32,38-39H,7-8,24-26H2,1-6H3
• InChIKey: RCMXSMICWIASDL-UHFFFAOYSA-N
• XLogP: 7.05
• TPSA: 77.54 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	650.82
LogP ≤ 5	7.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[2-[benzyl(ethyl)amino]-2-oxoethyl]-3-(3,4-dimethoxyphenyl)-N-ethyl-5,6-dimethoxy-2,3-dihydro-1H-indene-2-carboxamide?

The IUPAC name of N-benzyl-1-[2-[benzyl(ethyl)amino]-2-oxoethyl]-3-(3,4-dimethoxyphenyl)-N-ethyl-5,6-dimethoxy-2,3-dihydro-1H-indene-2-carboxamide (CID 70118446) is N-benzyl-1-[2-[benzyl(ethyl)amino]-2-oxoethyl]-3-(3,4-dimethoxyphenyl)-N-ethyl-5,6-dimethoxy-2,3-dihydro-1H-indene-2-carboxamide.

What is the SMILES notation for N-benzyl-1-[2-[benzyl(ethyl)amino]-2-oxoethyl]-3-(3,4-dimethoxyphenyl)-N-ethyl-5,6-dimethoxy-2,3-dihydro-1H-indene-2-carboxamide?

The canonical SMILES for N-benzyl-1-[2-[benzyl(ethyl)amino]-2-oxoethyl]-3-(3,4-dimethoxyphenyl)-N-ethyl-5,6-dimethoxy-2,3-dihydro-1H-indene-2-carboxamide is CCN(Cc1ccccc1)C(=O)CC1c2cc(OC)c(OC)cc2C(c2ccc(OC)c(OC)c2)C1C(=O)N(CC)Cc1ccccc1.

What is the InChIKey of N-benzyl-1-[2-[benzyl(ethyl)amino]-2-oxoethyl]-3-(3,4-dimethoxyphenyl)-N-ethyl-5,6-dimethoxy-2,3-dihydro-1H-indene-2-carboxamide?

The InChIKey is RCMXSMICWIASDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H46N2O6/c1-7-41(25-27-15-11-9-12-16-27)37(43)24-32-30-22-35(47-5)36(48-6)23-31(30)38(29-19-20-33(45-3)34(21-29)46-4)39(32)40(44)42(8-2)26-28-17-13-10-14-18-28/h9-23,32,38-39H,7-8,24-26H2,1-6H3.

What are the key properties of N-benzyl-1-[2-[benzyl(ethyl)amino]-2-oxoethyl]-3-(3,4-dimethoxyphenyl)-N-ethyl-5,6-dimethoxy-2,3-dihydro-1H-indene-2-carboxamide?

N-benzyl-1-[2-[benzyl(ethyl)amino]-2-oxoethyl]-3-(3,4-dimethoxyphenyl)-N-ethyl-5,6-dimethoxy-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 650.82 g/mol, XLogP of 7.05, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-1-[2-[benzyl(ethyl)amino]-2-oxoethyl]-3-(3,4-dimethoxyphenyl)-N-ethyl-5,6-dimethoxy-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 70118446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).