2-(3,4-dimethoxy-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-N-(3-methylbutyl)propanamide

C26H34N6O4 — CID 3179411

About 2-(3,4-dimethoxy-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-N-(3-methylbutyl)propanamide

2-(3,4-dimethoxy-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-N-(3-methylbutyl)propanamide (PubChem CID 3179411) has the molecular formula C26H34N6O4 and a molecular weight of 494.60 g/mol. Its IUPAC name is 2-(3,4-dimethoxy-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-N-(3-methylbutyl)propanamide.

Molecular Properties

• Compound Name: 2-(3,4-dimethoxy-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-N-(3-methylbutyl)propanamide
• PubChem CID: 3179411
• Molecular Formula: C26H34N6O4
• Molecular Weight: 494.60 g/mol
• Exact Mass: 494.26
• IUPAC Name: 2-(3,4-dimethoxy-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-N-(3-methylbutyl)propanamide
• SMILES: COc1ccc(N(C(=O)Cn2nnc(-c3ccc(C)cc3)n2)C(C)C(=O)NCCC(C)C)cc1OC
• InChI: InChI=1S/C26H34N6O4/c1-17(2)13-14-27-26(34)19(4)32(21-11-12-22(35-5)23(15-21)36-6)24(33)16-31-29-25(28-30-31)20-9-7-18(3)8-10-20/h7-12,15,17,19H,13-14,16H2,1-6H3,(H,27,34)
• InChIKey: PVJHQEAMMYNVRZ-UHFFFAOYSA-N
• XLogP: 3.25
• TPSA: 111.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.60
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxy-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-N-(3-methylbutyl)propanamide?

The IUPAC name of 2-(3,4-dimethoxy-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-N-(3-methylbutyl)propanamide (CID 3179411) is 2-(3,4-dimethoxy-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-N-(3-methylbutyl)propanamide.

What is the SMILES notation for 2-(3,4-dimethoxy-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-N-(3-methylbutyl)propanamide?

The canonical SMILES for 2-(3,4-dimethoxy-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-N-(3-methylbutyl)propanamide is COc1ccc(N(C(=O)Cn2nnc(-c3ccc(C)cc3)n2)C(C)C(=O)NCCC(C)C)cc1OC.

What is the InChIKey of 2-(3,4-dimethoxy-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-N-(3-methylbutyl)propanamide?

The InChIKey is PVJHQEAMMYNVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O4/c1-17(2)13-14-27-26(34)19(4)32(21-11-12-22(35-5)23(15-21)36-6)24(33)16-31-29-25(28-30-31)20-9-7-18(3)8-10-20/h7-12,15,17,19H,13-14,16H2,1-6H3,(H,27,34).

What are the key properties of 2-(3,4-dimethoxy-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-N-(3-methylbutyl)propanamide?

2-(3,4-dimethoxy-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-N-(3-methylbutyl)propanamide has a molecular weight of 494.60 g/mol, XLogP of 3.25, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,4-dimethoxy-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 3179411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).