[3-methyl-5-[2-(4-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxy]pentyl] N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate

C32H44N2O4 — CID 19917531

About [3-methyl-5-[2-(4-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxy]pentyl] N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate

[3-methyl-5-[2-(4-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxy]pentyl] N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate (PubChem CID 19917531) has the molecular formula C32H44N2O4 and a molecular weight of 520.71 g/mol. Its IUPAC name is [3-methyl-5-[2-(4-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxy]pentyl] N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate.

Molecular Properties

• Compound Name: [3-methyl-5-[2-(4-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxy]pentyl] N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate
• PubChem CID: 19917531
• Molecular Formula: C32H44N2O4
• Molecular Weight: 520.71 g/mol
• Exact Mass: 520.33
• IUPAC Name: [3-methyl-5-[2-(4-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxy]pentyl] N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate
• SMILES: C=C(C)c1ccc(C(C)(C)NC(=O)OCCC(C)CCOC(=O)NC(C)(C)c2cccc(C(=C)C)c2)cc1
• InChI: InChI=1S/C32H44N2O4/c1-22(2)25-13-15-27(16-14-25)31(6,7)33-29(35)37-19-17-24(5)18-20-38-30(36)34-32(8,9)28-12-10-11-26(21-28)23(3)4/h10-16,21,24H,1,3,17-20H2,2,4-9H3,(H,33,35)(H,34,36)
• InChIKey: RAMNHEKDKUMHJH-UHFFFAOYSA-N
• XLogP: 7.79
• TPSA: 76.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.71
LogP ≤ 5	7.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [3-methyl-5-[2-(4-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxy]pentyl] N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate?

The IUPAC name of [3-methyl-5-[2-(4-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxy]pentyl] N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate (CID 19917531) is [3-methyl-5-[2-(4-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxy]pentyl] N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate.

What is the SMILES notation for [3-methyl-5-[2-(4-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxy]pentyl] N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate?

The canonical SMILES for [3-methyl-5-[2-(4-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxy]pentyl] N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate is C=C(C)c1ccc(C(C)(C)NC(=O)OCCC(C)CCOC(=O)NC(C)(C)c2cccc(C(=C)C)c2)cc1.

What is the InChIKey of [3-methyl-5-[2-(4-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxy]pentyl] N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate?

The InChIKey is RAMNHEKDKUMHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H44N2O4/c1-22(2)25-13-15-27(16-14-25)31(6,7)33-29(35)37-19-17-24(5)18-20-38-30(36)34-32(8,9)28-12-10-11-26(21-28)23(3)4/h10-16,21,24H,1,3,17-20H2,2,4-9H3,(H,33,35)(H,34,36).

What are the key properties of [3-methyl-5-[2-(4-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxy]pentyl] N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate?

[3-methyl-5-[2-(4-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxy]pentyl] N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate has a molecular weight of 520.71 g/mol, XLogP of 7.79, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [3-methyl-5-[2-(4-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxy]pentyl] N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate is sourced from PubChem (CID 19917531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).