18,18,21,21-tetraheptyl-N-(2-methylphenyl)-N-(15,15,25,25-tetraoctyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaen-15-amine

C119H157NO2 — CID 146439674

About 18,18,21,21-tetraheptyl-N-(2-methylphenyl)-N-(15,15,25,25-tetraoctyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaen-15-amine

18,18,21,21-tetraheptyl-N-(2-methylphenyl)-N-(15,15,25,25-tetraoctyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaen-15-amine (PubChem CID 146439674) has the molecular formula C119H157NO2 and a molecular weight of 1633.57 g/mol. Its IUPAC name is 18,18,21,21-tetraheptyl-N-(2-methylphenyl)-N-(15,15,25,25-tetraoctyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaen-15-amine.

Molecular Properties

• Compound Name: 18,18,21,21-tetraheptyl-N-(2-methylphenyl)-N-(15,15,25,25-tetraoctyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaen-15-amine
• PubChem CID: 146439674
• Molecular Formula: C119H157NO2
• Molecular Weight: 1633.57 g/mol
• Exact Mass: 1632.22
• IUPAC Name: 18,18,21,21-tetraheptyl-N-(2-methylphenyl)-N-(15,15,25,25-tetraoctyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaen-15-amine
• SMILES: CCCCCCCCC1(CCCCCCCC)c2cc(N(c3ccc4c(c3)C(CCCCCCC)(CCCCCCC)c3c5c(c6c(oc7ccccc76)c3-4)-c3ccccc3C5(CCCCCCC)CCCCCCC)c3ccccc3C)ccc2-c2cc3c(cc21)-c1c(ccc2oc4ccccc4c12)C3(CCCCCCCC)CCCCCCCC
• InChI: InChI=1S/C119H157NO2/c1-10-18-26-34-42-54-76-116(77-55-43-35-27-19-11-2)99-74-75-107-109(94-64-48-52-68-105(94)121-107)108(99)97-87-102-96(86-103(97)116)91-72-70-89(84-100(91)117(102,78-56-44-36-28-20-12-3)79-57-45-37-29-21-13-4)120(104-67-51-46-62-88(104)9)90-71-73-93-101(85-90)119(82-60-40-32-24-16-7,83-61-41-33-25-17-8)114-112(93)115-111(95-65-49-53-69-106(95)122-115)110-92-63-47-50-66-98(92)118(113(110)114,80-58-38-30-22-14-5)81-59-39-31-23-15-6/h46-53,62-75,84-87H,10-45,54-61,76-83H2,1-9H3
• InChIKey: CZHISZMLBQWNGD-UHFFFAOYSA-N
• XLogP: 38.77
• TPSA: 29.52 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 55
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1633.57
LogP ≤ 5	38.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 18,18,21,21-tetraheptyl-N-(2-methylphenyl)-N-(15,15,25,25-tetraoctyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaen-15-amine?

The IUPAC name of 18,18,21,21-tetraheptyl-N-(2-methylphenyl)-N-(15,15,25,25-tetraoctyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaen-15-amine (CID 146439674) is 18,18,21,21-tetraheptyl-N-(2-methylphenyl)-N-(15,15,25,25-tetraoctyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaen-15-amine.

What is the SMILES notation for 18,18,21,21-tetraheptyl-N-(2-methylphenyl)-N-(15,15,25,25-tetraoctyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaen-15-amine?

The canonical SMILES for 18,18,21,21-tetraheptyl-N-(2-methylphenyl)-N-(15,15,25,25-tetraoctyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaen-15-amine is CCCCCCCCC1(CCCCCCCC)c2cc(N(c3ccc4c(c3)C(CCCCCCC)(CCCCCCC)c3c5c(c6c(oc7ccccc76)c3-4)-c3ccccc3C5(CCCCCCC)CCCCCCC)c3ccccc3C)ccc2-c2cc3c(cc21)-c1c(ccc2oc4ccccc4c12)C3(CCCCCCCC)CCCCCCCC.

What is the InChIKey of 18,18,21,21-tetraheptyl-N-(2-methylphenyl)-N-(15,15,25,25-tetraoctyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaen-15-amine?

The InChIKey is CZHISZMLBQWNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C119H157NO2/c1-10-18-26-34-42-54-76-116(77-55-43-35-27-19-11-2)99-74-75-107-109(94-64-48-52-68-105(94)121-107)108(99)97-87-102-96(86-103(97)116)91-72-70-89(84-100(91)117(102,78-56-44-36-28-20-12-3)79-57-45-37-29-21-13-4)120(104-67-51-46-62-88(104)9)90-71-73-93-101(85-90)119(82-60-40-32-24-16-7,83-61-41-33-25-17-8)114-112(93)115-111(95-65-49-53-69-106(95)122-115)110-92-63-47-50-66-98(92)118(113(110)114,80-58-38-30-22-14-5)81-59-39-31-23-15-6/h46-53,62-75,84-87H,10-45,54-61,76-83H2,1-9H3.

What are the key properties of 18,18,21,21-tetraheptyl-N-(2-methylphenyl)-N-(15,15,25,25-tetraoctyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaen-15-amine?

18,18,21,21-tetraheptyl-N-(2-methylphenyl)-N-(15,15,25,25-tetraoctyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaen-15-amine has a molecular weight of 1633.57 g/mol, XLogP of 38.77, 55 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 18,18,21,21-tetraheptyl-N-(2-methylphenyl)-N-(15,15,25,25-tetraoctyl-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(24),20,22,26-dodecaen-22-yl)-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaen-15-amine is sourced from PubChem (CID 146439674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).