N-(2-aminoethyl)-2-[[6,10,12,16,18,22,24-heptakis[2-(2-aminoethylamino)-2-oxoethoxy]-2,8,14,20-tetrakis(2-phenylethyl)-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

C92H120N16O16 — CID 57401322

IUPACN-(2-aminoethyl)-2-[[6,10,12,16,18,22,24-heptakis[2-(2-aminoethylamino)-2-oxoethoxy]-2,8,14,20-tetrakis(2-phenylethyl)-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
SMILESNCCNC(=O)COc1cc(OCC(=O)NCCN)c2cc1C(CCc1ccccc1)c1cc(c(OCC(=O)NCCN)cc1OCC(=O)NCCN)C(CCc1ccccc1)c1cc(c(OCC(=O)NCCN)cc1OCC(=O)NCCN)C(CCc1ccccc1)c1cc(c(OCC(=O)NCCN)cc1OCC(=O)NCCN)C2CCc1ccccc1
InChIInChI=1S/C92H120N16O16/c93-29-37-101-85(109)53-117-77-49-79(119-55-87(111)103-39-31-95)71-45-69(77)65(25-21-61-13-5-1-6-14-61)70-46-72(80(120-56-88(112)104-40-32-96)50-78(70)118-54-86(110)102-38-30-94)67(27-23-63-17-9-3-10-18-63)74-48-76(84(124-60-92(116)108-44-36-100)52-82(74)122-58-90(114)106-42-34-98)68(28-24-64-19-11-4-12-20-64)75-47-73(66(71)26-22-62-15-7-2-8-16-62)81(121-57-89(113)105-41-33-97)51-83(75)123-59-91(115)107-43-35-99/h1-20,45-52,65-68H,21-44,53-60,93-100H2,(H,101,109)(H,102,110)(H,103,111)(H,104,112)(H,105,113)(H,106,114)(H,107,115)(H,108,116)
InChIKeyDKPXUHHLHFOHDG-UHFFFAOYSA-N
MW1706.07 g/mol
LogP2.69
Rot. Bonds52

About N-(2-aminoethyl)-2-[[6,10,12,16,18,22,24-heptakis[2-(2-aminoethylamino)-2-oxoethoxy]-2,8,14,20-tetrakis(2-phenylethyl)-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-(2-aminoethyl)-2-[[6,10,12,16,18,22,24-heptakis[2-(2-aminoethylamino)-2-oxoethoxy]-2,8,14,20-tetrakis(2-phenylethyl)-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 57401322) has the molecular formula C92H120N16O16 and a molecular weight of 1706.07 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-[[6,10,12,16,18,22,24-heptakis[2-(2-aminoethylamino)-2-oxoethoxy]-2,8,14,20-tetrakis(2-phenylethyl)-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 NameN-(2-aminoethyl)-2-[[6,10,12,16,18,22,24-heptakis[2-(2-aminoethylamino)-2-oxoethoxy]-2,8,14,20-tetrakis(2-phenylethyl)-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 CID57401322
Molecular FormulaC92H120N16O16
Molecular Weight1706.07 g/mol
Exact Mass1704.91
IUPAC NameN-(2-aminoethyl)-2-[[6,10,12,16,18,22,24-heptakis[2-(2-aminoethylamino)-2-oxoethoxy]-2,8,14,20-tetrakis(2-phenylethyl)-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
SMILESNCCNC(=O)COc1cc(OCC(=O)NCCN)c2cc1C(CCc1ccccc1)c1cc(c(OCC(=O)NCCN)cc1OCC(=O)NCCN)C(CCc1ccccc1)c1cc(c(OCC(=O)NCCN)cc1OCC(=O)NCCN)C(CCc1ccccc1)c1cc(c(OCC(=O)NCCN)cc1OCC(=O)NCCN)C2CCc1ccccc1
InChIInChI=1S/C92H120N16O16/c93-29-37-101-85(109)53-117-77-49-79(119-55-87(111)103-39-31-95)71-45-69(77)65(25-21-61-13-5-1-6-14-61)70-46-72(80(120-56-88(112)104-40-32-96)50-78(70)118-54-86(110)102-38-30-94)67(27-23-63-17-9-3-10-18-63)74-48-76(84(124-60-92(116)108-44-36-100)52-82(74)122-58-90(114)106-42-34-98)68(28-24-64-19-11-4-12-20-64)75-47-73(66(71)26-22-62-15-7-2-8-16-62)81(121-57-89(113)105-41-33-97)51-83(75)123-59-91(115)107-43-35-99/h1-20,45-52,65-68H,21-44,53-60,93-100H2,(H,101,109)(H,102,110)(H,103,111)(H,104,112)(H,105,113)(H,106,114)(H,107,115)(H,108,116)
InChIKeyDKPXUHHLHFOHDG-UHFFFAOYSA-N
XLogP2.69
TPSA514.80 Ų
H-Bond Donors16
H-Bond Acceptors24
Rotatable Bonds52
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001706.07
LogP ≤ 52.69
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1024

Analyze N-(2-aminoethyl)-2-[[6,10,12,16,18,22,24-heptakis[2-(2-aminoethylamino)-2-oxoethoxy]-2,8,14,20-tetrakis(2-phenylethyl)-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 with MolForge

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Related Compounds

methyl 2-[[6,10,12,16,18,22,24-heptakis(2-methoxy-2-oxoethoxy)-2,8,14,20-tetrakis(2-phenylethyl)-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]acetate
CID 122202439
N-(2-aminoethyl)-2-(2-phenylethoxy)acetamide
CID 114988878
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CID 62275392
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CID 12841749
N-(2-aminoethyl)-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride
CID 119382771
[2-oxo-2-(2-phenylethylamino)ethyl] 2-(2-phenylphenoxy)acetate
CID 8920134
2-[4-(hydroxymethyl)-2-methoxyphenoxy]-N-(2-phenylethyl)acetamide
CID 19621775
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CID 7366889
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CID 102980804
2-(2,3-dichlorophenoxy)-N-(3-phenylpropyl)acetamide
CID 8604337
[2-oxo-2-(2-phenylethylamino)ethyl] 2-(2-fluorophenoxy)acetate
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N-(2-aminoethyl)-2-(2-butan-2-ylphenoxy)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-[[6,10,12,16,18,22,24-heptakis[2-(2-aminoethylamino)-2-oxoethoxy]-2,8,14,20-tetrakis(2-phenylethyl)-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-(2-aminoethyl)-2-[[6,10,12,16,18,22,24-heptakis[2-(2-aminoethylamino)-2-oxoethoxy]-2,8,14,20-tetrakis(2-phenylethyl)-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 57401322) is N-(2-aminoethyl)-2-[[6,10,12,16,18,22,24-heptakis[2-(2-aminoethylamino)-2-oxoethoxy]-2,8,14,20-tetrakis(2-phenylethyl)-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-(2-aminoethyl)-2-[[6,10,12,16,18,22,24-heptakis[2-(2-aminoethylamino)-2-oxoethoxy]-2,8,14,20-tetrakis(2-phenylethyl)-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-(2-aminoethyl)-2-[[6,10,12,16,18,22,24-heptakis[2-(2-aminoethylamino)-2-oxoethoxy]-2,8,14,20-tetrakis(2-phenylethyl)-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 NCCNC(=O)COc1cc(OCC(=O)NCCN)c2cc1C(CCc1ccccc1)c1cc(c(OCC(=O)NCCN)cc1OCC(=O)NCCN)C(CCc1ccccc1)c1cc(c(OCC(=O)NCCN)cc1OCC(=O)NCCN)C(CCc1ccccc1)c1cc(c(OCC(=O)NCCN)cc1OCC(=O)NCCN)C2CCc1ccccc1.
What is the InChIKey of N-(2-aminoethyl)-2-[[6,10,12,16,18,22,24-heptakis[2-(2-aminoethylamino)-2-oxoethoxy]-2,8,14,20-tetrakis(2-phenylethyl)-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 DKPXUHHLHFOHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H120N16O16/c93-29-37-101-85(109)53-117-77-49-79(119-55-87(111)103-39-31-95)71-45-69(77)65(25-21-61-13-5-1-6-14-61)70-46-72(80(120-56-88(112)104-40-32-96)50-78(70)118-54-86(110)102-38-30-94)67(27-23-63-17-9-3-10-18-63)74-48-76(84(124-60-92(116)108-44-36-100)52-82(74)122-58-90(114)106-42-34-98)68(28-24-64-19-11-4-12-20-64)75-47-73(66(71)26-22-62-15-7-2-8-16-62)81(121-57-89(113)105-41-33-97)51-83(75)123-59-91(115)107-43-35-99/h1-20,45-52,65-68H,21-44,53-60,93-100H2,(H,101,109)(H,102,110)(H,103,111)(H,104,112)(H,105,113)(H,106,114)(H,107,115)(H,108,116).
What are the key properties of N-(2-aminoethyl)-2-[[6,10,12,16,18,22,24-heptakis[2-(2-aminoethylamino)-2-oxoethoxy]-2,8,14,20-tetrakis(2-phenylethyl)-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-(2-aminoethyl)-2-[[6,10,12,16,18,22,24-heptakis[2-(2-aminoethylamino)-2-oxoethoxy]-2,8,14,20-tetrakis(2-phenylethyl)-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 1706.07 g/mol, XLogP of 2.69, 52 rotatable bonds, 16 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-[[6,10,12,16,18,22,24-heptakis[2-(2-aminoethylamino)-2-oxoethoxy]-2,8,14,20-tetrakis(2-phenylethyl)-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 57401322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).