N,N-diethyl-2-[[6,10,12,16,18,22,24-heptakis[2-(diethylamino)-2-oxoethoxy]-2,8,14,20-tetra(undecyl)-4-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxy]acetamide

C120H200N8O16 — CID 15266428

About N,N-diethyl-2-[[6,10,12,16,18,22,24-heptakis[2-(diethylamino)-2-oxoethoxy]-2,8,14,20-tetra(undecyl)-4-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxy]acetamide

N,N-diethyl-2-[[6,10,12,16,18,22,24-heptakis[2-(diethylamino)-2-oxoethoxy]-2,8,14,20-tetra(undecyl)-4-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxy]acetamide (PubChem CID 15266428) has the molecular formula C120H200N8O16 and a molecular weight of 2010.96 g/mol. Its IUPAC name is N,N-diethyl-2-[[6,10,12,16,18,22,24-heptakis[2-(diethylamino)-2-oxoethoxy]-2,8,14,20-tetra(undecyl)-4-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxy]acetamide.

Molecular Properties

• Compound Name: N,N-diethyl-2-[[6,10,12,16,18,22,24-heptakis[2-(diethylamino)-2-oxoethoxy]-2,8,14,20-tetra(undecyl)-4-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxy]acetamide
• PubChem CID: 15266428
• Molecular Formula: C120H200N8O16
• Molecular Weight: 2010.96 g/mol
• Exact Mass: 2009.51
• IUPAC Name: N,N-diethyl-2-[[6,10,12,16,18,22,24-heptakis[2-(diethylamino)-2-oxoethoxy]-2,8,14,20-tetra(undecyl)-4-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxy]acetamide
• SMILES: CCCCCCCCCCCC1c2cc(c(OCC(=O)N(CC)CC)cc2OCC(=O)N(CC)CC)C(CCCCCCCCCCC)c2cc(c(OCC(=O)N(CC)CC)cc2OCC(=O)N(CC)CC)C(CCCCCCCCCCC)c2cc(c(OCC(=O)N(CC)CC)cc2OCC(=O)N(CC)CC)C(CCCCCCCCCCC)c2cc1c(OCC(=O)N(CC)CC)cc2OCC(=O)N(CC)CC
• InChI: InChI=1S/C120H200N8O16/c1-21-41-45-49-53-57-61-65-69-73-93-97-77-99(107(139-87-115(131)123(29-9)30-10)81-105(97)137-85-113(129)121(25-5)26-6)94(74-70-66-62-58-54-50-46-42-22-2)101-79-103(111(143-91-119(135)127(37-17)38-18)83-109(101)141-89-117(133)125(33-13)34-14)96(76-72-68-64-60-56-52-48-44-24-4)104-80-102(110(142-90-118(134)126(35-15)36-16)84-112(104)144-92-120(136)128(39-19)40-20)95(75-71-67-63-59-55-51-47-43-23-3)100-78-98(93)106(138-86-114(130)122(27-7)28-8)82-108(100)140-88-116(132)124(31-11)32-12/h77-84,93-96H,21-76,85-92H2,1-20H3
• InChIKey: MWPFZRGNXFRIKG-UHFFFAOYSA-N
• XLogP: 26.19
• TPSA: 236.32 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 80
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2010.96
LogP ≤ 5	26.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[[6,10,12,16,18,22,24-heptakis[2-(diethylamino)-2-oxoethoxy]-2,8,14,20-tetra(undecyl)-4-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxy]acetamide?

The IUPAC name of N,N-diethyl-2-[[6,10,12,16,18,22,24-heptakis[2-(diethylamino)-2-oxoethoxy]-2,8,14,20-tetra(undecyl)-4-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxy]acetamide (CID 15266428) is N,N-diethyl-2-[[6,10,12,16,18,22,24-heptakis[2-(diethylamino)-2-oxoethoxy]-2,8,14,20-tetra(undecyl)-4-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxy]acetamide.

What is the SMILES notation for N,N-diethyl-2-[[6,10,12,16,18,22,24-heptakis[2-(diethylamino)-2-oxoethoxy]-2,8,14,20-tetra(undecyl)-4-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxy]acetamide?

The canonical SMILES for N,N-diethyl-2-[[6,10,12,16,18,22,24-heptakis[2-(diethylamino)-2-oxoethoxy]-2,8,14,20-tetra(undecyl)-4-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxy]acetamide is CCCCCCCCCCCC1c2cc(c(OCC(=O)N(CC)CC)cc2OCC(=O)N(CC)CC)C(CCCCCCCCCCC)c2cc(c(OCC(=O)N(CC)CC)cc2OCC(=O)N(CC)CC)C(CCCCCCCCCCC)c2cc(c(OCC(=O)N(CC)CC)cc2OCC(=O)N(CC)CC)C(CCCCCCCCCCC)c2cc1c(OCC(=O)N(CC)CC)cc2OCC(=O)N(CC)CC.

What is the InChIKey of N,N-diethyl-2-[[6,10,12,16,18,22,24-heptakis[2-(diethylamino)-2-oxoethoxy]-2,8,14,20-tetra(undecyl)-4-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxy]acetamide?

The InChIKey is MWPFZRGNXFRIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C120H200N8O16/c1-21-41-45-49-53-57-61-65-69-73-93-97-77-99(107(139-87-115(131)123(29-9)30-10)81-105(97)137-85-113(129)121(25-5)26-6)94(74-70-66-62-58-54-50-46-42-22-2)101-79-103(111(143-91-119(135)127(37-17)38-18)83-109(101)141-89-117(133)125(33-13)34-14)96(76-72-68-64-60-56-52-48-44-24-4)104-80-102(110(142-90-118(134)126(35-15)36-16)84-112(104)144-92-120(136)128(39-19)40-20)95(75-71-67-63-59-55-51-47-43-23-3)100-78-98(93)106(138-86-114(130)122(27-7)28-8)82-108(100)140-88-116(132)124(31-11)32-12/h77-84,93-96H,21-76,85-92H2,1-20H3.

What are the key properties of N,N-diethyl-2-[[6,10,12,16,18,22,24-heptakis[2-(diethylamino)-2-oxoethoxy]-2,8,14,20-tetra(undecyl)-4-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxy]acetamide?

N,N-diethyl-2-[[6,10,12,16,18,22,24-heptakis[2-(diethylamino)-2-oxoethoxy]-2,8,14,20-tetra(undecyl)-4-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxy]acetamide has a molecular weight of 2010.96 g/mol, XLogP of 26.19, 80 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diethyl-2-[[6,10,12,16,18,22,24-heptakis[2-(diethylamino)-2-oxoethoxy]-2,8,14,20-tetra(undecyl)-4-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxy]acetamide is sourced from PubChem (CID 15266428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).