N-butyl-4-[4-[[2,2-dimethyl-4-(2-methyl-4-propoxybutan-2-yl)oxybutanoyl]amino]-2-methylbutan-2-yl]oxy-2,2-dimethylbutanamide

C29H58N2O5 — CID 162756252

About N-butyl-4-[4-[[2,2-dimethyl-4-(2-methyl-4-propoxybutan-2-yl)oxybutanoyl]amino]-2-methylbutan-2-yl]oxy-2,2-dimethylbutanamide

N-butyl-4-[4-[[2,2-dimethyl-4-(2-methyl-4-propoxybutan-2-yl)oxybutanoyl]amino]-2-methylbutan-2-yl]oxy-2,2-dimethylbutanamide (PubChem CID 162756252) has the molecular formula C29H58N2O5 and a molecular weight of 514.79 g/mol. Its IUPAC name is N-butyl-4-[4-[[2,2-dimethyl-4-(2-methyl-4-propoxybutan-2-yl)oxybutanoyl]amino]-2-methylbutan-2-yl]oxy-2,2-dimethylbutanamide.

Molecular Properties

• Compound Name: N-butyl-4-[4-[[2,2-dimethyl-4-(2-methyl-4-propoxybutan-2-yl)oxybutanoyl]amino]-2-methylbutan-2-yl]oxy-2,2-dimethylbutanamide
• PubChem CID: 162756252
• Molecular Formula: C29H58N2O5
• Molecular Weight: 514.79 g/mol
• Exact Mass: 514.43
• IUPAC Name: N-butyl-4-[4-[[2,2-dimethyl-4-(2-methyl-4-propoxybutan-2-yl)oxybutanoyl]amino]-2-methylbutan-2-yl]oxy-2,2-dimethylbutanamide
• SMILES: CCCCNC(=O)C(C)(C)CCOC(C)(C)CCNC(=O)C(C)(C)CCOC(C)(C)CCOCCC
• InChI: InChI=1S/C29H58N2O5/c1-11-13-18-30-24(32)26(3,4)15-22-35-28(7,8)14-19-31-25(33)27(5,6)16-23-36-29(9,10)17-21-34-20-12-2/h11-23H2,1-10H3,(H,30,32)(H,31,33)
• InChIKey: UVMHRLXMKGVNIG-UHFFFAOYSA-N
• XLogP: 5.65
• TPSA: 85.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 21
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	514.79
LogP ≤ 5	5.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[4-[[2,2-dimethyl-4-(2-methyl-4-propoxybutan-2-yl)oxybutanoyl]amino]-2-methylbutan-2-yl]oxy-2,2-dimethylbutanamide?

The IUPAC name of N-butyl-4-[4-[[2,2-dimethyl-4-(2-methyl-4-propoxybutan-2-yl)oxybutanoyl]amino]-2-methylbutan-2-yl]oxy-2,2-dimethylbutanamide (CID 162756252) is N-butyl-4-[4-[[2,2-dimethyl-4-(2-methyl-4-propoxybutan-2-yl)oxybutanoyl]amino]-2-methylbutan-2-yl]oxy-2,2-dimethylbutanamide.

What is the SMILES notation for N-butyl-4-[4-[[2,2-dimethyl-4-(2-methyl-4-propoxybutan-2-yl)oxybutanoyl]amino]-2-methylbutan-2-yl]oxy-2,2-dimethylbutanamide?

The canonical SMILES for N-butyl-4-[4-[[2,2-dimethyl-4-(2-methyl-4-propoxybutan-2-yl)oxybutanoyl]amino]-2-methylbutan-2-yl]oxy-2,2-dimethylbutanamide is CCCCNC(=O)C(C)(C)CCOC(C)(C)CCNC(=O)C(C)(C)CCOC(C)(C)CCOCCC.

What is the InChIKey of N-butyl-4-[4-[[2,2-dimethyl-4-(2-methyl-4-propoxybutan-2-yl)oxybutanoyl]amino]-2-methylbutan-2-yl]oxy-2,2-dimethylbutanamide?

The InChIKey is UVMHRLXMKGVNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H58N2O5/c1-11-13-18-30-24(32)26(3,4)15-22-35-28(7,8)14-19-31-25(33)27(5,6)16-23-36-29(9,10)17-21-34-20-12-2/h11-23H2,1-10H3,(H,30,32)(H,31,33).

What are the key properties of N-butyl-4-[4-[[2,2-dimethyl-4-(2-methyl-4-propoxybutan-2-yl)oxybutanoyl]amino]-2-methylbutan-2-yl]oxy-2,2-dimethylbutanamide?

N-butyl-4-[4-[[2,2-dimethyl-4-(2-methyl-4-propoxybutan-2-yl)oxybutanoyl]amino]-2-methylbutan-2-yl]oxy-2,2-dimethylbutanamide has a molecular weight of 514.79 g/mol, XLogP of 5.65, 21 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-butyl-4-[4-[[2,2-dimethyl-4-(2-methyl-4-propoxybutan-2-yl)oxybutanoyl]amino]-2-methylbutan-2-yl]oxy-2,2-dimethylbutanamide is sourced from PubChem (CID 162756252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).