N-tert-butyl-2-[cyclopentyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]hexanamide

C26H40N6O4 — CID 3178778

About N-tert-butyl-2-[cyclopentyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]hexanamide

N-tert-butyl-2-[cyclopentyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]hexanamide (PubChem CID 3178778) has the molecular formula C26H40N6O4 and a molecular weight of 500.64 g/mol. Its IUPAC name is N-tert-butyl-2-[cyclopentyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]hexanamide.

Molecular Properties

• Compound Name: N-tert-butyl-2-[cyclopentyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]hexanamide
• PubChem CID: 3178778
• Molecular Formula: C26H40N6O4
• Molecular Weight: 500.64 g/mol
• Exact Mass: 500.31
• IUPAC Name: N-tert-butyl-2-[cyclopentyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]hexanamide
• SMILES: CCCCC(C(=O)NC(C)(C)C)N(C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1)C1CCCC1
• InChI: InChI=1S/C26H40N6O4/c1-7-8-13-20(25(34)27-26(2,3)4)32(19-11-9-10-12-19)23(33)17-31-29-24(28-30-31)18-14-15-21(35-5)22(16-18)36-6/h14-16,19-20H,7-13,17H2,1-6H3,(H,27,34)
• InChIKey: OFGCJTQUWRRXJT-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 111.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.64
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[cyclopentyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]hexanamide?

The IUPAC name of N-tert-butyl-2-[cyclopentyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]hexanamide (CID 3178778) is N-tert-butyl-2-[cyclopentyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]hexanamide.

What is the SMILES notation for N-tert-butyl-2-[cyclopentyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]hexanamide?

The canonical SMILES for N-tert-butyl-2-[cyclopentyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]hexanamide is CCCCC(C(=O)NC(C)(C)C)N(C(=O)Cn1nnc(-c2ccc(OC)c(OC)c2)n1)C1CCCC1.

What is the InChIKey of N-tert-butyl-2-[cyclopentyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]hexanamide?

The InChIKey is OFGCJTQUWRRXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N6O4/c1-7-8-13-20(25(34)27-26(2,3)4)32(19-11-9-10-12-19)23(33)17-31-29-24(28-30-31)18-14-15-21(35-5)22(16-18)36-6/h14-16,19-20H,7-13,17H2,1-6H3,(H,27,34).

What are the key properties of N-tert-butyl-2-[cyclopentyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]hexanamide?

N-tert-butyl-2-[cyclopentyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]hexanamide has a molecular weight of 500.64 g/mol, XLogP of 3.60, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-2-[cyclopentyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]hexanamide is sourced from PubChem (CID 3178778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).