N-(3-amino-4-methylpentyl)-2-(furan-2-carbonyl)-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

C22H29N3O3 — CID 119660086

About N-(3-amino-4-methylpentyl)-2-(furan-2-carbonyl)-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

N-(3-amino-4-methylpentyl)-2-(furan-2-carbonyl)-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide (PubChem CID 119660086) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-2-(furan-2-carbonyl)-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide.

Molecular Properties

• Compound Name: N-(3-amino-4-methylpentyl)-2-(furan-2-carbonyl)-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
• PubChem CID: 119660086
• Molecular Formula: C22H29N3O3
• Molecular Weight: 383.49 g/mol
• Exact Mass: 383.22
• IUPAC Name: N-(3-amino-4-methylpentyl)-2-(furan-2-carbonyl)-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
• SMILES: CC(C)C(N)CCN(C)C(=O)C1Cc2ccccc2CN1C(=O)c1ccco1
• InChI: InChI=1S/C22H29N3O3/c1-15(2)18(23)10-11-24(3)21(26)19-13-16-7-4-5-8-17(16)14-25(19)22(27)20-9-6-12-28-20/h4-9,12,15,18-19H,10-11,13-14,23H2,1-3H3
• InChIKey: DYUOLBNAOWPHAA-UHFFFAOYSA-N
• XLogP: 2.68
• TPSA: 79.78 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	383.49
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-2-(furan-2-carbonyl)-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide?

The IUPAC name of N-(3-amino-4-methylpentyl)-2-(furan-2-carbonyl)-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide (CID 119660086) is N-(3-amino-4-methylpentyl)-2-(furan-2-carbonyl)-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide.

What is the SMILES notation for N-(3-amino-4-methylpentyl)-2-(furan-2-carbonyl)-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide?

The canonical SMILES for N-(3-amino-4-methylpentyl)-2-(furan-2-carbonyl)-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide is CC(C)C(N)CCN(C)C(=O)C1Cc2ccccc2CN1C(=O)c1ccco1.

What is the InChIKey of N-(3-amino-4-methylpentyl)-2-(furan-2-carbonyl)-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide?

The InChIKey is DYUOLBNAOWPHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-15(2)18(23)10-11-24(3)21(26)19-13-16-7-4-5-8-17(16)14-25(19)22(27)20-9-6-12-28-20/h4-9,12,15,18-19H,10-11,13-14,23H2,1-3H3.

What are the key properties of N-(3-amino-4-methylpentyl)-2-(furan-2-carbonyl)-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide?

N-(3-amino-4-methylpentyl)-2-(furan-2-carbonyl)-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide has a molecular weight of 383.49 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-amino-4-methylpentyl)-2-(furan-2-carbonyl)-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide is sourced from PubChem (CID 119660086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).