N-[2-[[5,11,17,23-tetratert-butyl-26,28-dihydroxy-27-[2-(naphthalene-1-carbonylamino)ethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]ethyl]naphthalene-1-carboxamide

C70H78N2O6 — CID 101153512

About N-[2-[[5,11,17,23-tetratert-butyl-26,28-dihydroxy-27-[2-(naphthalene-1-carbonylamino)ethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]ethyl]naphthalene-1-carboxamide

N-[2-[[5,11,17,23-tetratert-butyl-26,28-dihydroxy-27-[2-(naphthalene-1-carbonylamino)ethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]ethyl]naphthalene-1-carboxamide (PubChem CID 101153512) has the molecular formula C70H78N2O6 and a molecular weight of 1043.40 g/mol. Its IUPAC name is N-[2-[[5,11,17,23-tetratert-butyl-26,28-dihydroxy-27-[2-(naphthalene-1-carbonylamino)ethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]ethyl]naphthalene-1-carboxamide.

Molecular Properties

• Compound Name: N-[2-[[5,11,17,23-tetratert-butyl-26,28-dihydroxy-27-[2-(naphthalene-1-carbonylamino)ethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]ethyl]naphthalene-1-carboxamide
• PubChem CID: 101153512
• Molecular Formula: C70H78N2O6
• Molecular Weight: 1043.40 g/mol
• Exact Mass: 1042.59
• IUPAC Name: N-[2-[[5,11,17,23-tetratert-butyl-26,28-dihydroxy-27-[2-(naphthalene-1-carbonylamino)ethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]ethyl]naphthalene-1-carboxamide
• SMILES: CC(C)(C)c1cc2c(O)c(c1)Cc1cc(C(C)(C)C)cc(c1OCCNC(=O)c1cccc3ccccc13)Cc1cc(C(C)(C)C)cc(c1O)Cc1cc(C(C)(C)C)cc(c1OCCNC(=O)c1cccc3ccccc13)C2
• InChI: InChI=1S/C70H78N2O6/c1-67(2,3)53-35-45-31-49-39-55(69(7,8)9)41-51(63(49)77-29-27-71-65(75)59-25-17-21-43-19-13-15-23-57(43)59)33-47-37-54(68(4,5)6)38-48(62(47)74)34-52-42-56(70(10,11)12)40-50(32-46(36-53)61(45)73)64(52)78-30-28-72-66(76)60-26-18-22-44-20-14-16-24-58(44)60/h13-26,35-42,73-74H,27-34H2,1-12H3,(H,71,75)(H,72,76)
• InChIKey: HLNQSGYALJTJOP-UHFFFAOYSA-N
• XLogP: 14.89
• TPSA: 117.12 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1043.40
LogP ≤ 5	14.89
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5,11,17,23-tetratert-butyl-26,28-dihydroxy-27-[2-(naphthalene-1-carbonylamino)ethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]ethyl]naphthalene-1-carboxamide?

The IUPAC name of N-[2-[[5,11,17,23-tetratert-butyl-26,28-dihydroxy-27-[2-(naphthalene-1-carbonylamino)ethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]ethyl]naphthalene-1-carboxamide (CID 101153512) is N-[2-[[5,11,17,23-tetratert-butyl-26,28-dihydroxy-27-[2-(naphthalene-1-carbonylamino)ethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]ethyl]naphthalene-1-carboxamide.

What is the SMILES notation for N-[2-[[5,11,17,23-tetratert-butyl-26,28-dihydroxy-27-[2-(naphthalene-1-carbonylamino)ethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]ethyl]naphthalene-1-carboxamide?

The canonical SMILES for N-[2-[[5,11,17,23-tetratert-butyl-26,28-dihydroxy-27-[2-(naphthalene-1-carbonylamino)ethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]ethyl]naphthalene-1-carboxamide is CC(C)(C)c1cc2c(O)c(c1)Cc1cc(C(C)(C)C)cc(c1OCCNC(=O)c1cccc3ccccc13)Cc1cc(C(C)(C)C)cc(c1O)Cc1cc(C(C)(C)C)cc(c1OCCNC(=O)c1cccc3ccccc13)C2.

What is the InChIKey of N-[2-[[5,11,17,23-tetratert-butyl-26,28-dihydroxy-27-[2-(naphthalene-1-carbonylamino)ethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]ethyl]naphthalene-1-carboxamide?

The InChIKey is HLNQSGYALJTJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H78N2O6/c1-67(2,3)53-35-45-31-49-39-55(69(7,8)9)41-51(63(49)77-29-27-71-65(75)59-25-17-21-43-19-13-15-23-57(43)59)33-47-37-54(68(4,5)6)38-48(62(47)74)34-52-42-56(70(10,11)12)40-50(32-46(36-53)61(45)73)64(52)78-30-28-72-66(76)60-26-18-22-44-20-14-16-24-58(44)60/h13-26,35-42,73-74H,27-34H2,1-12H3,(H,71,75)(H,72,76).

What are the key properties of N-[2-[[5,11,17,23-tetratert-butyl-26,28-dihydroxy-27-[2-(naphthalene-1-carbonylamino)ethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]ethyl]naphthalene-1-carboxamide?

N-[2-[[5,11,17,23-tetratert-butyl-26,28-dihydroxy-27-[2-(naphthalene-1-carbonylamino)ethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]ethyl]naphthalene-1-carboxamide has a molecular weight of 1043.40 g/mol, XLogP of 14.89, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[5,11,17,23-tetratert-butyl-26,28-dihydroxy-27-[2-(naphthalene-1-carbonylamino)ethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]ethyl]naphthalene-1-carboxamide is sourced from PubChem (CID 101153512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).