N-[3-[tert-butyl(methyl)amino]-1-[[2-methyl-4-(2,5,5-trimethylhexan-2-yloxy)butan-2-yl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide

C27H55N3O3 — CID 155053195

About N-[3-[tert-butyl(methyl)amino]-1-[[2-methyl-4-(2,5,5-trimethylhexan-2-yloxy)butan-2-yl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide

N-[3-[tert-butyl(methyl)amino]-1-[[2-methyl-4-(2,5,5-trimethylhexan-2-yloxy)butan-2-yl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide (PubChem CID 155053195) has the molecular formula C27H55N3O3 and a molecular weight of 469.76 g/mol. Its IUPAC name is N-[3-[tert-butyl(methyl)amino]-1-[[2-methyl-4-(2,5,5-trimethylhexan-2-yloxy)butan-2-yl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

• Compound Name: N-[3-[tert-butyl(methyl)amino]-1-[[2-methyl-4-(2,5,5-trimethylhexan-2-yloxy)butan-2-yl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
• PubChem CID: 155053195
• Molecular Formula: C27H55N3O3
• Molecular Weight: 469.76 g/mol
• Exact Mass: 469.42
• IUPAC Name: N-[3-[tert-butyl(methyl)amino]-1-[[2-methyl-4-(2,5,5-trimethylhexan-2-yloxy)butan-2-yl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
• SMILES: CN(CC(NC(=O)C(C)(C)C)C(=O)NC(C)(C)CCOC(C)(C)CCC(C)(C)C)C(C)(C)C
• InChI: InChI=1S/C27H55N3O3/c1-23(2,3)15-16-27(12,13)33-18-17-26(10,11)29-21(31)20(19-30(14)25(7,8)9)28-22(32)24(4,5)6/h20H,15-19H2,1-14H3,(H,28,32)(H,29,31)
• InChIKey: SVLITPVLWDORFC-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 70.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.76
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[3-[tert-butyl(methyl)amino]-1-[[2-methyl-4-(2,5,5-trimethylhexan-2-yloxy)butan-2-yl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide?

The IUPAC name of N-[3-[tert-butyl(methyl)amino]-1-[[2-methyl-4-(2,5,5-trimethylhexan-2-yloxy)butan-2-yl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide (CID 155053195) is N-[3-[tert-butyl(methyl)amino]-1-[[2-methyl-4-(2,5,5-trimethylhexan-2-yloxy)butan-2-yl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide.

What is the SMILES notation for N-[3-[tert-butyl(methyl)amino]-1-[[2-methyl-4-(2,5,5-trimethylhexan-2-yloxy)butan-2-yl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide?

The canonical SMILES for N-[3-[tert-butyl(methyl)amino]-1-[[2-methyl-4-(2,5,5-trimethylhexan-2-yloxy)butan-2-yl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide is CN(CC(NC(=O)C(C)(C)C)C(=O)NC(C)(C)CCOC(C)(C)CCC(C)(C)C)C(C)(C)C.

What is the InChIKey of N-[3-[tert-butyl(methyl)amino]-1-[[2-methyl-4-(2,5,5-trimethylhexan-2-yloxy)butan-2-yl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide?

The InChIKey is SVLITPVLWDORFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H55N3O3/c1-23(2,3)15-16-27(12,13)33-18-17-26(10,11)29-21(31)20(19-30(14)25(7,8)9)28-22(32)24(4,5)6/h20H,15-19H2,1-14H3,(H,28,32)(H,29,31).

What are the key properties of N-[3-[tert-butyl(methyl)amino]-1-[[2-methyl-4-(2,5,5-trimethylhexan-2-yloxy)butan-2-yl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide?

N-[3-[tert-butyl(methyl)amino]-1-[[2-methyl-4-(2,5,5-trimethylhexan-2-yloxy)butan-2-yl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide has a molecular weight of 469.76 g/mol, XLogP of 5.15, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[tert-butyl(methyl)amino]-1-[[2-methyl-4-(2,5,5-trimethylhexan-2-yloxy)butan-2-yl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 155053195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).