N-tert-butyl-4-methyl-2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)pentanamide

C24H32N6O3 — CID 3178809

About N-tert-butyl-4-methyl-2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)pentanamide

N-tert-butyl-4-methyl-2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)pentanamide (PubChem CID 3178809) has the molecular formula C24H32N6O3 and a molecular weight of 452.56 g/mol. Its IUPAC name is N-tert-butyl-4-methyl-2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)pentanamide.

Molecular Properties

• Compound Name: N-tert-butyl-4-methyl-2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)pentanamide
• PubChem CID: 3178809
• Molecular Formula: C24H32N6O3
• Molecular Weight: 452.56 g/mol
• Exact Mass: 452.25
• IUPAC Name: N-tert-butyl-4-methyl-2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)pentanamide
• SMILES: Cc1ccc(-c2nnn(CC(=O)N(c3ccccc3)C(CC(C)C)C(=O)NC(C)(C)C)n2)o1
• InChI: InChI=1S/C24H32N6O3/c1-16(2)14-19(23(32)25-24(4,5)6)30(18-10-8-7-9-11-18)21(31)15-29-27-22(26-28-29)20-13-12-17(3)33-20/h7-13,16,19H,14-15H2,1-6H3,(H,25,32)
• InChIKey: MVGXIRFSSINBAQ-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 106.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.56
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-methyl-2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)pentanamide?

The IUPAC name of N-tert-butyl-4-methyl-2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)pentanamide (CID 3178809) is N-tert-butyl-4-methyl-2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)pentanamide.

What is the SMILES notation for N-tert-butyl-4-methyl-2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)pentanamide?

The canonical SMILES for N-tert-butyl-4-methyl-2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)pentanamide is Cc1ccc(-c2nnn(CC(=O)N(c3ccccc3)C(CC(C)C)C(=O)NC(C)(C)C)n2)o1.

What is the InChIKey of N-tert-butyl-4-methyl-2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)pentanamide?

The InChIKey is MVGXIRFSSINBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O3/c1-16(2)14-19(23(32)25-24(4,5)6)30(18-10-8-7-9-11-18)21(31)15-29-27-22(26-28-29)20-13-12-17(3)33-20/h7-13,16,19H,14-15H2,1-6H3,(H,25,32).

What are the key properties of N-tert-butyl-4-methyl-2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)pentanamide?

N-tert-butyl-4-methyl-2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)pentanamide has a molecular weight of 452.56 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-4-methyl-2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)pentanamide is sourced from PubChem (CID 3178809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).