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

C23H30N2O3 — CID 46144415

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

N-[1-[6,7-dimethoxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-1-yl]ethyl]acetamide (PubChem CID 46144415) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is N-[1-[6,7-dimethoxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-1-yl]ethyl]acetamide.

Molecular Properties

• Compound Name: N-[1-[6,7-dimethoxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-1-yl]ethyl]acetamide
• PubChem CID: 46144415
• Molecular Formula: C23H30N2O3
• Molecular Weight: 382.50 g/mol
• Exact Mass: 382.23
• IUPAC Name: N-[1-[6,7-dimethoxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-1-yl]ethyl]acetamide
• SMILES: COc1cc2c(cc1OC)C(C(C)NC(C)=O)N(Cc1ccccc1C)CC2
• InChI: InChI=1S/C23H30N2O3/c1-15-8-6-7-9-19(15)14-25-11-10-18-12-21(27-4)22(28-5)13-20(18)23(25)16(2)24-17(3)26/h6-9,12-13,16,23H,10-11,14H2,1-5H3,(H,24,26)
• InChIKey: JELXTBQTVQDFGD-UHFFFAOYSA-N
• XLogP: 3.64
• TPSA: 50.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.50
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[1-[6,7-dimethoxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-1-yl]ethyl]acetamide?

The IUPAC name of N-[1-[6,7-dimethoxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-1-yl]ethyl]acetamide (CID 46144415) is N-[1-[6,7-dimethoxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-1-yl]ethyl]acetamide.

What is the SMILES notation for N-[1-[6,7-dimethoxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-1-yl]ethyl]acetamide?

The canonical SMILES for N-[1-[6,7-dimethoxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-1-yl]ethyl]acetamide is COc1cc2c(cc1OC)C(C(C)NC(C)=O)N(Cc1ccccc1C)CC2.

What is the InChIKey of N-[1-[6,7-dimethoxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-1-yl]ethyl]acetamide?

The InChIKey is JELXTBQTVQDFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-15-8-6-7-9-19(15)14-25-11-10-18-12-21(27-4)22(28-5)13-20(18)23(25)16(2)24-17(3)26/h6-9,12-13,16,23H,10-11,14H2,1-5H3,(H,24,26).

What are the key properties of N-[1-[6,7-dimethoxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-1-yl]ethyl]acetamide?

N-[1-[6,7-dimethoxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-1-yl]ethyl]acetamide has a molecular weight of 382.50 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[6,7-dimethoxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-1-yl]ethyl]acetamide is sourced from PubChem (CID 46144415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).