N,N-diphenyl-2-[6,8,17,19-tetraoxo-18-[2-oxo-2-(N-phenylanilino)ethyl]-11,14,22,26-tetrakis[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]acetamide

C108H112N4O10 — CID 167319907

About N,N-diphenyl-2-[6,8,17,19-tetraoxo-18-[2-oxo-2-(N-phenylanilino)ethyl]-11,14,22,26-tetrakis[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]acetamide

N,N-diphenyl-2-[6,8,17,19-tetraoxo-18-[2-oxo-2-(N-phenylanilino)ethyl]-11,14,22,26-tetrakis[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]acetamide (PubChem CID 167319907) has the molecular formula C108H112N4O10 and a molecular weight of 1626.10 g/mol. Its IUPAC name is N,N-diphenyl-2-[6,8,17,19-tetraoxo-18-[2-oxo-2-(N-phenylanilino)ethyl]-11,14,22,26-tetrakis[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]acetamide.

Molecular Properties

• Compound Name: N,N-diphenyl-2-[6,8,17,19-tetraoxo-18-[2-oxo-2-(N-phenylanilino)ethyl]-11,14,22,26-tetrakis[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]acetamide
• PubChem CID: 167319907
• Molecular Formula: C108H112N4O10
• Molecular Weight: 1626.10 g/mol
• Exact Mass: 1624.84
• IUPAC Name: N,N-diphenyl-2-[6,8,17,19-tetraoxo-18-[2-oxo-2-(N-phenylanilino)ethyl]-11,14,22,26-tetrakis[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]acetamide
• SMILES: CC(C)(C)CC(C)(C)c1ccc(Oc2cc3c4c(cc(Oc5ccc(C(C)(C)CC(C)(C)C)cc5)c5c6c(Oc7ccc(C(C)(C)CC(C)(C)C)cc7)cc7c8c(cc(Oc9ccc(C(C)(C)CC(C)(C)C)cc9)c(c2c45)c86)C(=O)N(CC(=O)N(c2ccccc2)c2ccccc2)C7=O)C(=O)N(CC(=O)N(c2ccccc2)c2ccccc2)C3=O)cc1
• InChI: InChI=1S/C108H112N4O10/c1-101(2,3)63-105(13,14)67-41-49-75(50-42-67)119-83-57-79-89-80(98(116)109(97(79)115)61-87(113)111(71-33-25-21-26-34-71)72-35-27-22-28-36-72)59-85(121-77-53-45-69(46-54-77)107(17,18)65-103(7,8)9)93-94-86(122-78-55-47-70(48-56-78)108(19,20)66-104(10,11)12)60-82-90-81(99(117)110(100(82)118)62-88(114)112(73-37-29-23-30-38-73)74-39-31-24-32-40-74)58-84(92(96(90)94)91(83)95(89)93)120-76-51-43-68(44-52-76)106(15,16)64-102(4,5)6/h21-60H,61-66H2,1-20H3
• InChIKey: DARZWJBAQLLYAI-UHFFFAOYSA-N
• XLogP: 27.68
• TPSA: 152.30 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 24
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1626.10
LogP ≤ 5	27.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-2-[6,8,17,19-tetraoxo-18-[2-oxo-2-(N-phenylanilino)ethyl]-11,14,22,26-tetrakis[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]acetamide?

The IUPAC name of N,N-diphenyl-2-[6,8,17,19-tetraoxo-18-[2-oxo-2-(N-phenylanilino)ethyl]-11,14,22,26-tetrakis[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]acetamide (CID 167319907) is N,N-diphenyl-2-[6,8,17,19-tetraoxo-18-[2-oxo-2-(N-phenylanilino)ethyl]-11,14,22,26-tetrakis[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]acetamide.

What is the SMILES notation for N,N-diphenyl-2-[6,8,17,19-tetraoxo-18-[2-oxo-2-(N-phenylanilino)ethyl]-11,14,22,26-tetrakis[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]acetamide?

The canonical SMILES for N,N-diphenyl-2-[6,8,17,19-tetraoxo-18-[2-oxo-2-(N-phenylanilino)ethyl]-11,14,22,26-tetrakis[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]acetamide is CC(C)(C)CC(C)(C)c1ccc(Oc2cc3c4c(cc(Oc5ccc(C(C)(C)CC(C)(C)C)cc5)c5c6c(Oc7ccc(C(C)(C)CC(C)(C)C)cc7)cc7c8c(cc(Oc9ccc(C(C)(C)CC(C)(C)C)cc9)c(c2c45)c86)C(=O)N(CC(=O)N(c2ccccc2)c2ccccc2)C7=O)C(=O)N(CC(=O)N(c2ccccc2)c2ccccc2)C3=O)cc1.

What is the InChIKey of N,N-diphenyl-2-[6,8,17,19-tetraoxo-18-[2-oxo-2-(N-phenylanilino)ethyl]-11,14,22,26-tetrakis[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]acetamide?

The InChIKey is DARZWJBAQLLYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C108H112N4O10/c1-101(2,3)63-105(13,14)67-41-49-75(50-42-67)119-83-57-79-89-80(98(116)109(97(79)115)61-87(113)111(71-33-25-21-26-34-71)72-35-27-22-28-36-72)59-85(121-77-53-45-69(46-54-77)107(17,18)65-103(7,8)9)93-94-86(122-78-55-47-70(48-56-78)108(19,20)66-104(10,11)12)60-82-90-81(99(117)110(100(82)118)62-88(114)112(73-37-29-23-30-38-73)74-39-31-24-32-40-74)58-84(92(96(90)94)91(83)95(89)93)120-76-51-43-68(44-52-76)106(15,16)64-102(4,5)6/h21-60H,61-66H2,1-20H3.

What are the key properties of N,N-diphenyl-2-[6,8,17,19-tetraoxo-18-[2-oxo-2-(N-phenylanilino)ethyl]-11,14,22,26-tetrakis[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]acetamide?

N,N-diphenyl-2-[6,8,17,19-tetraoxo-18-[2-oxo-2-(N-phenylanilino)ethyl]-11,14,22,26-tetrakis[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]acetamide has a molecular weight of 1626.10 g/mol, XLogP of 27.68, 24 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diphenyl-2-[6,8,17,19-tetraoxo-18-[2-oxo-2-(N-phenylanilino)ethyl]-11,14,22,26-tetrakis[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]acetamide is sourced from PubChem (CID 167319907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).