N-[2-[2-[2-[2-[2-[2-[2-[2-[[2,4-dihydroxy-3-(3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl)-6-pentylbenzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2,4-dihydroxy-3-(3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl)-6-pentylbenzamide

C60H92N2O13 — CID 159357885

About N-[2-[2-[2-[2-[2-[2-[2-[2-[[2,4-dihydroxy-3-(3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl)-6-pentylbenzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2,4-dihydroxy-3-(3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl)-6-pentylbenzamide

N-[2-[2-[2-[2-[2-[2-[2-[2-[[2,4-dihydroxy-3-(3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl)-6-pentylbenzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2,4-dihydroxy-3-(3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl)-6-pentylbenzamide (PubChem CID 159357885) has the molecular formula C60H92N2O13 and a molecular weight of 1049.40 g/mol. Its IUPAC name is N-[2-[2-[2-[2-[2-[2-[2-[2-[[2,4-dihydroxy-3-(3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl)-6-pentylbenzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2,4-dihydroxy-3-(3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl)-6-pentylbenzamide.

Molecular Properties

• Compound Name: N-[2-[2-[2-[2-[2-[2-[2-[2-[[2,4-dihydroxy-3-(3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl)-6-pentylbenzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2,4-dihydroxy-3-(3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl)-6-pentylbenzamide
• PubChem CID: 159357885
• Molecular Formula: C60H92N2O13
• Molecular Weight: 1049.40 g/mol
• Exact Mass: 1048.66
• IUPAC Name: N-[2-[2-[2-[2-[2-[2-[2-[2-[[2,4-dihydroxy-3-(3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl)-6-pentylbenzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2,4-dihydroxy-3-(3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl)-6-pentylbenzamide
• SMILES: C=C(C)C1CC=C(C)CC1c1c(O)cc(CCCCC)c(C(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)c2c(CCCCC)cc(O)c(C3CC(C)=CCC3C(=C)C)c2O)c1O
• InChI: InChI=1S/C60H92N2O13/c1-9-11-13-15-45-39-51(63)55(49-37-43(7)17-19-47(49)41(3)4)57(65)53(45)59(67)61-21-23-69-25-27-71-29-31-73-33-35-75-36-34-74-32-30-72-28-26-70-24-22-62-60(68)54-46(16-14-12-10-2)40-52(64)56(58(54)66)50-38-44(8)18-20-48(50)42(5)6/h17-18,39-40,47-50,63-66H,3,5,9-16,19-38H2,1-2,4,6-8H3,(H,61,67)(H,62,68)
• InChIKey: ZQJNTKJESUAVTM-UHFFFAOYSA-N
• XLogP: 10.28
• TPSA: 203.73 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 13
• Rotatable Bonds: 38
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1049.40
LogP ≤ 5	10.28
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[2-[2-[2-[2-[2-[[2,4-dihydroxy-3-(3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl)-6-pentylbenzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2,4-dihydroxy-3-(3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl)-6-pentylbenzamide?

The IUPAC name of N-[2-[2-[2-[2-[2-[2-[2-[2-[[2,4-dihydroxy-3-(3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl)-6-pentylbenzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2,4-dihydroxy-3-(3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl)-6-pentylbenzamide (CID 159357885) is N-[2-[2-[2-[2-[2-[2-[2-[2-[[2,4-dihydroxy-3-(3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl)-6-pentylbenzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2,4-dihydroxy-3-(3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl)-6-pentylbenzamide.

What is the SMILES notation for N-[2-[2-[2-[2-[2-[2-[2-[2-[[2,4-dihydroxy-3-(3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl)-6-pentylbenzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2,4-dihydroxy-3-(3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl)-6-pentylbenzamide?

The canonical SMILES for N-[2-[2-[2-[2-[2-[2-[2-[2-[[2,4-dihydroxy-3-(3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl)-6-pentylbenzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2,4-dihydroxy-3-(3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl)-6-pentylbenzamide is C=C(C)C1CC=C(C)CC1c1c(O)cc(CCCCC)c(C(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)c2c(CCCCC)cc(O)c(C3CC(C)=CCC3C(=C)C)c2O)c1O.

What is the InChIKey of N-[2-[2-[2-[2-[2-[2-[2-[2-[[2,4-dihydroxy-3-(3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl)-6-pentylbenzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2,4-dihydroxy-3-(3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl)-6-pentylbenzamide?

The InChIKey is ZQJNTKJESUAVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H92N2O13/c1-9-11-13-15-45-39-51(63)55(49-37-43(7)17-19-47(49)41(3)4)57(65)53(45)59(67)61-21-23-69-25-27-71-29-31-73-33-35-75-36-34-74-32-30-72-28-26-70-24-22-62-60(68)54-46(16-14-12-10-2)40-52(64)56(58(54)66)50-38-44(8)18-20-48(50)42(5)6/h17-18,39-40,47-50,63-66H,3,5,9-16,19-38H2,1-2,4,6-8H3,(H,61,67)(H,62,68).

What are the key properties of N-[2-[2-[2-[2-[2-[2-[2-[2-[[2,4-dihydroxy-3-(3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl)-6-pentylbenzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2,4-dihydroxy-3-(3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl)-6-pentylbenzamide?

N-[2-[2-[2-[2-[2-[2-[2-[2-[[2,4-dihydroxy-3-(3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl)-6-pentylbenzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2,4-dihydroxy-3-(3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl)-6-pentylbenzamide has a molecular weight of 1049.40 g/mol, XLogP of 10.28, 38 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[2-[2-[2-[2-[2-[2-[[2,4-dihydroxy-3-(3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl)-6-pentylbenzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2,4-dihydroxy-3-(3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-yl)-6-pentylbenzamide is sourced from PubChem (CID 159357885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).