N-[4-[(4R,5R)-5-[(2S,5S,8S,11S,14S,17R,20S,23S,26S,29R,32S)-14-ethyl-1,4,7,10,16,17,19,25,29,32-decamethyl-2,5,20,26-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacont-11-yl]-5-hydroxy-4-methylpentyl]phenyl]acetamide;N-[4-[(E,4R,5R)-5-[(2S,5S,8S,11S,14S,20S,23S,26S,29R,32S)-14-ethyl-1,4,7,10,16,19,25,29,32-nonamethyl-17-methylidene-2,5,20,26-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacont-11-yl]-5-hydroxy-4-methylpent-1-enyl]phenyl]acetamide

C146H242N18O26 — CID 167635138

About N-[4-[(4R,5R)-5-[(2S,5S,8S,11S,14S,17R,20S,23S,26S,29R,32S)-14-ethyl-1,4,7,10,16,17,19,25,29,32-decamethyl-2,5,20,26-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacont-11-yl]-5-hydroxy-4-methylpentyl]phenyl]acetamide;N-[4-[(E,4R,5R)-5-[(2S,5S,8S,11S,14S,20S,23S,26S,29R,32S)-14-ethyl-1,4,7,10,16,19,25,29,32-nonamethyl-17-methylidene-2,5,20,26-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacont-11-yl]-5-hydroxy-4-methylpent-1-enyl]phenyl]acetamide

N-[4-[(4R,5R)-5-[(2S,5S,8S,11S,14S,17R,20S,23S,26S,29R,32S)-14-ethyl-1,4,7,10,16,17,19,25,29,32-decamethyl-2,5,20,26-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacont-11-yl]-5-hydroxy-4-methylpentyl]phenyl]acetamide;N-[4-[(E,4R,5R)-5-[(2S,5S,8S,11S,14S,20S,23S,26S,29R,32S)-14-ethyl-1,4,7,10,16,19,25,29,32-nonamethyl-17-methylidene-2,5,20,26-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacont-11-yl]-5-hydroxy-4-methylpent-1-enyl]phenyl]acetamide (PubChem CID 167635138) has the molecular formula C146H242N18O26 and a molecular weight of 2665.64 g/mol. Its IUPAC name is N-[4-[(4R,5R)-5-[(2S,5S,8S,11S,14S,17R,20S,23S,26S,29R,32S)-14-ethyl-1,4,7,10,16,17,19,25,29,32-decamethyl-2,5,20,26-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacont-11-yl]-5-hydroxy-4-methylpentyl]phenyl]acetamide;N-[4-[(E,4R,5R)-5-[(2S,5S,8S,11S,14S,20S,23S,26S,29R,32S)-14-ethyl-1,4,7,10,16,19,25,29,32-nonamethyl-17-methylidene-2,5,20,26-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacont-11-yl]-5-hydroxy-4-methylpent-1-enyl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[(4R,5R)-5-[(2S,5S,8S,11S,14S,17R,20S,23S,26S,29R,32S)-14-ethyl-1,4,7,10,16,17,19,25,29,32-decamethyl-2,5,20,26-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacont-11-yl]-5-hydroxy-4-methylpentyl]phenyl]acetamide;N-[4-[(E,4R,5R)-5-[(2S,5S,8S,11S,14S,20S,23S,26S,29R,32S)-14-ethyl-1,4,7,10,16,19,25,29,32-nonamethyl-17-methylidene-2,5,20,26-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacont-11-yl]-5-hydroxy-4-methylpent-1-enyl]phenyl]acetamide
• PubChem CID: 167635138
• Molecular Formula: C146H242N18O26
• Molecular Weight: 2665.64 g/mol
• Exact Mass: 2663.82
• IUPAC Name: N-[4-[(4R,5R)-5-[(2S,5S,8S,11S,14S,17R,20S,23S,26S,29R,32S)-14-ethyl-1,4,7,10,16,17,19,25,29,32-decamethyl-2,5,20,26-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacont-11-yl]-5-hydroxy-4-methylpentyl]phenyl]acetamide;N-[4-[(E,4R,5R)-5-[(2S,5S,8S,11S,14S,20S,23S,26S,29R,32S)-14-ethyl-1,4,7,10,16,19,25,29,32-nonamethyl-17-methylidene-2,5,20,26-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacont-11-yl]-5-hydroxy-4-methylpent-1-enyl]phenyl]acetamide
• SMILES: C=C1C(=O)N(C)[C@@H](CC(C)C)C(=O)C[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)C[C@@H](C)C(=O)C[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H]([C@H](O)[C@H](C)C/C=C/c2ccc(NC(C)=O)cc2)C(=O)N[C@@H](CC)C(=O)N1C.CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)CCCc2ccc(NC(C)=O)cc2)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)CC(=O)[C@H](C)CC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)CC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)N(C)C1=O
• InChI: InChI=1S/C73H123N9O13.C73H119N9O13/c2*1-26-55-70(92)76(19)50(17)68(90)77(20)57(35-42(4)5)62(86)40-54(45(10)11)69(91)78(21)56(34-41(2)3)61(85)38-48(15)60(84)39-49(16)67(89)79(22)58(36-43(6)7)71(93)80(23)59(37-44(8)9)72(94)81(24)63(46(12)13)73(95)82(25)64(66(88)75-55)65(87)47(14)28-27-29-52-30-32-53(33-31-52)74-51(18)83/h30-33,41-50,54-59,63-65,87H,26-29,34-40H2,1-25H3,(H,74,83)(H,75,88);27,29-33,41-49,54-59,63-65,87H,17,26,28,34-40H2,1-16,18-25H3,(H,74,83)(H,75,88)/b;29-27+/t47-,48-,49+,50-,54+,55+,56+,57+,58+,59+,63+,64+,65-;47-,48-,49+,54+,55+,56+,57+,58+,59+,63+,64+,65-/m11/s1
• InChIKey: OJEYCXJXJYLWGW-KQKPMQRISA-N
• XLogP: 16.09
• TPSA: 543.62 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 35
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2665.64
LogP ≤ 5	16.09
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4R,5R)-5-[(2S,5S,8S,11S,14S,17R,20S,23S,26S,29R,32S)-14-ethyl-1,4,7,10,16,17,19,25,29,32-decamethyl-2,5,20,26-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacont-11-yl]-5-hydroxy-4-methylpentyl]phenyl]acetamide;N-[4-[(E,4R,5R)-5-[(2S,5S,8S,11S,14S,20S,23S,26S,29R,32S)-14-ethyl-1,4,7,10,16,19,25,29,32-nonamethyl-17-methylidene-2,5,20,26-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacont-11-yl]-5-hydroxy-4-methylpent-1-enyl]phenyl]acetamide?

The IUPAC name of N-[4-[(4R,5R)-5-[(2S,5S,8S,11S,14S,17R,20S,23S,26S,29R,32S)-14-ethyl-1,4,7,10,16,17,19,25,29,32-decamethyl-2,5,20,26-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacont-11-yl]-5-hydroxy-4-methylpentyl]phenyl]acetamide;N-[4-[(E,4R,5R)-5-[(2S,5S,8S,11S,14S,20S,23S,26S,29R,32S)-14-ethyl-1,4,7,10,16,19,25,29,32-nonamethyl-17-methylidene-2,5,20,26-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacont-11-yl]-5-hydroxy-4-methylpent-1-enyl]phenyl]acetamide (CID 167635138) is N-[4-[(4R,5R)-5-[(2S,5S,8S,11S,14S,17R,20S,23S,26S,29R,32S)-14-ethyl-1,4,7,10,16,17,19,25,29,32-decamethyl-2,5,20,26-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacont-11-yl]-5-hydroxy-4-methylpentyl]phenyl]acetamide;N-[4-[(E,4R,5R)-5-[(2S,5S,8S,11S,14S,20S,23S,26S,29R,32S)-14-ethyl-1,4,7,10,16,19,25,29,32-nonamethyl-17-methylidene-2,5,20,26-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacont-11-yl]-5-hydroxy-4-methylpent-1-enyl]phenyl]acetamide.

What is the SMILES notation for N-[4-[(4R,5R)-5-[(2S,5S,8S,11S,14S,17R,20S,23S,26S,29R,32S)-14-ethyl-1,4,7,10,16,17,19,25,29,32-decamethyl-2,5,20,26-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacont-11-yl]-5-hydroxy-4-methylpentyl]phenyl]acetamide;N-[4-[(E,4R,5R)-5-[(2S,5S,8S,11S,14S,20S,23S,26S,29R,32S)-14-ethyl-1,4,7,10,16,19,25,29,32-nonamethyl-17-methylidene-2,5,20,26-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacont-11-yl]-5-hydroxy-4-methylpent-1-enyl]phenyl]acetamide?

The canonical SMILES for N-[4-[(4R,5R)-5-[(2S,5S,8S,11S,14S,17R,20S,23S,26S,29R,32S)-14-ethyl-1,4,7,10,16,17,19,25,29,32-decamethyl-2,5,20,26-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacont-11-yl]-5-hydroxy-4-methylpentyl]phenyl]acetamide;N-[4-[(E,4R,5R)-5-[(2S,5S,8S,11S,14S,20S,23S,26S,29R,32S)-14-ethyl-1,4,7,10,16,19,25,29,32-nonamethyl-17-methylidene-2,5,20,26-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacont-11-yl]-5-hydroxy-4-methylpent-1-enyl]phenyl]acetamide is C=C1C(=O)N(C)[C@@H](CC(C)C)C(=O)C[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)C[C@@H](C)C(=O)C[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H]([C@H](O)[C@H](C)C/C=C/c2ccc(NC(C)=O)cc2)C(=O)N[C@@H](CC)C(=O)N1C.CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)CCCc2ccc(NC(C)=O)cc2)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)CC(=O)[C@H](C)CC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)CC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)N(C)C1=O.

What is the InChIKey of N-[4-[(4R,5R)-5-[(2S,5S,8S,11S,14S,17R,20S,23S,26S,29R,32S)-14-ethyl-1,4,7,10,16,17,19,25,29,32-decamethyl-2,5,20,26-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacont-11-yl]-5-hydroxy-4-methylpentyl]phenyl]acetamide;N-[4-[(E,4R,5R)-5-[(2S,5S,8S,11S,14S,20S,23S,26S,29R,32S)-14-ethyl-1,4,7,10,16,19,25,29,32-nonamethyl-17-methylidene-2,5,20,26-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacont-11-yl]-5-hydroxy-4-methylpent-1-enyl]phenyl]acetamide?

The InChIKey is OJEYCXJXJYLWGW-KQKPMQRISA-N. The full InChI is InChI=1S/C73H123N9O13.C73H119N9O13/c2*1-26-55-70(92)76(19)50(17)68(90)77(20)57(35-42(4)5)62(86)40-54(45(10)11)69(91)78(21)56(34-41(2)3)61(85)38-48(15)60(84)39-49(16)67(89)79(22)58(36-43(6)7)71(93)80(23)59(37-44(8)9)72(94)81(24)63(46(12)13)73(95)82(25)64(66(88)75-55)65(87)47(14)28-27-29-52-30-32-53(33-31-52)74-51(18)83/h30-33,41-50,54-59,63-65,87H,26-29,34-40H2,1-25H3,(H,74,83)(H,75,88);27,29-33,41-49,54-59,63-65,87H,17,26,28,34-40H2,1-16,18-25H3,(H,74,83)(H,75,88)/b;29-27+/t47-,48-,49+,50-,54+,55+,56+,57+,58+,59+,63+,64+,65-;47-,48-,49+,54+,55+,56+,57+,58+,59+,63+,64+,65-/m11/s1.

What are the key properties of N-[4-[(4R,5R)-5-[(2S,5S,8S,11S,14S,17R,20S,23S,26S,29R,32S)-14-ethyl-1,4,7,10,16,17,19,25,29,32-decamethyl-2,5,20,26-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacont-11-yl]-5-hydroxy-4-methylpentyl]phenyl]acetamide;N-[4-[(E,4R,5R)-5-[(2S,5S,8S,11S,14S,20S,23S,26S,29R,32S)-14-ethyl-1,4,7,10,16,19,25,29,32-nonamethyl-17-methylidene-2,5,20,26-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacont-11-yl]-5-hydroxy-4-methylpent-1-enyl]phenyl]acetamide?

N-[4-[(4R,5R)-5-[(2S,5S,8S,11S,14S,17R,20S,23S,26S,29R,32S)-14-ethyl-1,4,7,10,16,17,19,25,29,32-decamethyl-2,5,20,26-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacont-11-yl]-5-hydroxy-4-methylpentyl]phenyl]acetamide;N-[4-[(E,4R,5R)-5-[(2S,5S,8S,11S,14S,20S,23S,26S,29R,32S)-14-ethyl-1,4,7,10,16,19,25,29,32-nonamethyl-17-methylidene-2,5,20,26-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacont-11-yl]-5-hydroxy-4-methylpent-1-enyl]phenyl]acetamide has a molecular weight of 2665.64 g/mol, XLogP of 16.09, 35 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(4R,5R)-5-[(2S,5S,8S,11S,14S,17R,20S,23S,26S,29R,32S)-14-ethyl-1,4,7,10,16,17,19,25,29,32-decamethyl-2,5,20,26-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacont-11-yl]-5-hydroxy-4-methylpentyl]phenyl]acetamide;N-[4-[(E,4R,5R)-5-[(2S,5S,8S,11S,14S,20S,23S,26S,29R,32S)-14-ethyl-1,4,7,10,16,19,25,29,32-nonamethyl-17-methylidene-2,5,20,26-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacont-11-yl]-5-hydroxy-4-methylpent-1-enyl]phenyl]acetamide is sourced from PubChem (CID 167635138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).