[3-methyl-1-(2-methylbutan-2-yloxy)pentan-3-yl] N-[6-amino-1-[[3-[bis[2-(butylamino)-2-oxoethyl]amino]-3-oxopropyl]amino]-1-oxohexan-2-yl]carbamate

C33H64N6O7 — CID 143730826

About [3-methyl-1-(2-methylbutan-2-yloxy)pentan-3-yl] N-[6-amino-1-[[3-[bis[2-(butylamino)-2-oxoethyl]amino]-3-oxopropyl]amino]-1-oxohexan-2-yl]carbamate

[3-methyl-1-(2-methylbutan-2-yloxy)pentan-3-yl] N-[6-amino-1-[[3-[bis[2-(butylamino)-2-oxoethyl]amino]-3-oxopropyl]amino]-1-oxohexan-2-yl]carbamate (PubChem CID 143730826) has the molecular formula C33H64N6O7 and a molecular weight of 656.91 g/mol. Its IUPAC name is [3-methyl-1-(2-methylbutan-2-yloxy)pentan-3-yl] N-[6-amino-1-[[3-[bis[2-(butylamino)-2-oxoethyl]amino]-3-oxopropyl]amino]-1-oxohexan-2-yl]carbamate.

Molecular Properties

• Compound Name: [3-methyl-1-(2-methylbutan-2-yloxy)pentan-3-yl] N-[6-amino-1-[[3-[bis[2-(butylamino)-2-oxoethyl]amino]-3-oxopropyl]amino]-1-oxohexan-2-yl]carbamate
• PubChem CID: 143730826
• Molecular Formula: C33H64N6O7
• Molecular Weight: 656.91 g/mol
• Exact Mass: 656.48
• IUPAC Name: [3-methyl-1-(2-methylbutan-2-yloxy)pentan-3-yl] N-[6-amino-1-[[3-[bis[2-(butylamino)-2-oxoethyl]amino]-3-oxopropyl]amino]-1-oxohexan-2-yl]carbamate
• SMILES: CCCCNC(=O)CN(CC(=O)NCCCC)C(=O)CCNC(=O)C(CCCCN)NC(=O)OC(C)(CC)CCOC(C)(C)CC
• InChI: InChI=1S/C33H64N6O7/c1-8-12-20-35-27(40)24-39(25-28(41)36-21-13-9-2)29(42)17-22-37-30(43)26(16-14-15-19-34)38-31(44)46-33(7,11-4)18-23-45-32(5,6)10-3/h26H,8-25,34H2,1-7H3,(H,35,40)(H,36,41)(H,37,43)(H,38,44)
• InChIKey: WHNZWIGZORMUGU-UHFFFAOYSA-N
• XLogP: 3.14
• TPSA: 181.19 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 26
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	656.91
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(2-methylbutan-2-yloxy)pentan-3-yl] N-[6-amino-1-[[3-[bis[2-(butylamino)-2-oxoethyl]amino]-3-oxopropyl]amino]-1-oxohexan-2-yl]carbamate?

The IUPAC name of [3-methyl-1-(2-methylbutan-2-yloxy)pentan-3-yl] N-[6-amino-1-[[3-[bis[2-(butylamino)-2-oxoethyl]amino]-3-oxopropyl]amino]-1-oxohexan-2-yl]carbamate (CID 143730826) is [3-methyl-1-(2-methylbutan-2-yloxy)pentan-3-yl] N-[6-amino-1-[[3-[bis[2-(butylamino)-2-oxoethyl]amino]-3-oxopropyl]amino]-1-oxohexan-2-yl]carbamate.

What is the SMILES notation for [3-methyl-1-(2-methylbutan-2-yloxy)pentan-3-yl] N-[6-amino-1-[[3-[bis[2-(butylamino)-2-oxoethyl]amino]-3-oxopropyl]amino]-1-oxohexan-2-yl]carbamate?

The canonical SMILES for [3-methyl-1-(2-methylbutan-2-yloxy)pentan-3-yl] N-[6-amino-1-[[3-[bis[2-(butylamino)-2-oxoethyl]amino]-3-oxopropyl]amino]-1-oxohexan-2-yl]carbamate is CCCCNC(=O)CN(CC(=O)NCCCC)C(=O)CCNC(=O)C(CCCCN)NC(=O)OC(C)(CC)CCOC(C)(C)CC.

What is the InChIKey of [3-methyl-1-(2-methylbutan-2-yloxy)pentan-3-yl] N-[6-amino-1-[[3-[bis[2-(butylamino)-2-oxoethyl]amino]-3-oxopropyl]amino]-1-oxohexan-2-yl]carbamate?

The InChIKey is WHNZWIGZORMUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H64N6O7/c1-8-12-20-35-27(40)24-39(25-28(41)36-21-13-9-2)29(42)17-22-37-30(43)26(16-14-15-19-34)38-31(44)46-33(7,11-4)18-23-45-32(5,6)10-3/h26H,8-25,34H2,1-7H3,(H,35,40)(H,36,41)(H,37,43)(H,38,44).

What are the key properties of [3-methyl-1-(2-methylbutan-2-yloxy)pentan-3-yl] N-[6-amino-1-[[3-[bis[2-(butylamino)-2-oxoethyl]amino]-3-oxopropyl]amino]-1-oxohexan-2-yl]carbamate?

[3-methyl-1-(2-methylbutan-2-yloxy)pentan-3-yl] N-[6-amino-1-[[3-[bis[2-(butylamino)-2-oxoethyl]amino]-3-oxopropyl]amino]-1-oxohexan-2-yl]carbamate has a molecular weight of 656.91 g/mol, XLogP of 3.14, 26 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [3-methyl-1-(2-methylbutan-2-yloxy)pentan-3-yl] N-[6-amino-1-[[3-[bis[2-(butylamino)-2-oxoethyl]amino]-3-oxopropyl]amino]-1-oxohexan-2-yl]carbamate is sourced from PubChem (CID 143730826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).