N,N-dibenzyl-2-[18-[2-(dibenzylamino)-2-oxoethyl]-11,14,22,26-tetrakis(3,5-dimethylphenoxy)-6,8,17,19-tetraoxo-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

C88H72N4O10 — CID 167319948

About N,N-dibenzyl-2-[18-[2-(dibenzylamino)-2-oxoethyl]-11,14,22,26-tetrakis(3,5-dimethylphenoxy)-6,8,17,19-tetraoxo-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-dibenzyl-2-[18-[2-(dibenzylamino)-2-oxoethyl]-11,14,22,26-tetrakis(3,5-dimethylphenoxy)-6,8,17,19-tetraoxo-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 167319948) has the molecular formula C88H72N4O10 and a molecular weight of 1345.56 g/mol. Its IUPAC name is N,N-dibenzyl-2-[18-[2-(dibenzylamino)-2-oxoethyl]-11,14,22,26-tetrakis(3,5-dimethylphenoxy)-6,8,17,19-tetraoxo-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-dibenzyl-2-[18-[2-(dibenzylamino)-2-oxoethyl]-11,14,22,26-tetrakis(3,5-dimethylphenoxy)-6,8,17,19-tetraoxo-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: 167319948
• Molecular Formula: C88H72N4O10
• Molecular Weight: 1345.56 g/mol
• Exact Mass: 1344.52
• IUPAC Name: N,N-dibenzyl-2-[18-[2-(dibenzylamino)-2-oxoethyl]-11,14,22,26-tetrakis(3,5-dimethylphenoxy)-6,8,17,19-tetraoxo-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: Cc1cc(C)cc(Oc2cc3c4c(cc(Oc5cc(C)cc(C)c5)c5c6c(Oc7cc(C)cc(C)c7)cc7c8c(cc(Oc9cc(C)cc(C)c9)c(c2c45)c86)C(=O)N(CC(=O)N(Cc2ccccc2)Cc2ccccc2)C7=O)C(=O)N(CC(=O)N(Cc2ccccc2)Cc2ccccc2)C3=O)c1
• InChI: InChI=1S/C88H72N4O10/c1-51-29-52(2)34-63(33-51)99-71-41-67-77-68(86(96)91(85(67)95)49-75(93)89(45-59-21-13-9-14-22-59)46-60-23-15-10-16-24-60)43-73(101-65-37-55(5)31-56(6)38-65)81-82-74(102-66-39-57(7)32-58(8)40-66)44-70-78-69(42-72(80(84(78)82)79(71)83(77)81)100-64-35-53(3)30-54(4)36-64)87(97)92(88(70)98)50-76(94)90(47-61-25-17-11-18-26-61)48-62-27-19-12-20-28-62/h9-44H,45-50H2,1-8H3
• InChIKey: FYZBRZYRNJPLKR-UHFFFAOYSA-N
• XLogP: 19.02
• TPSA: 152.30 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 20
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1345.56
LogP ≤ 5	19.02
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-dibenzyl-2-[18-[2-(dibenzylamino)-2-oxoethyl]-11,14,22,26-tetrakis(3,5-dimethylphenoxy)-6,8,17,19-tetraoxo-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-dibenzyl-2-[18-[2-(dibenzylamino)-2-oxoethyl]-11,14,22,26-tetrakis(3,5-dimethylphenoxy)-6,8,17,19-tetraoxo-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 167319948) is N,N-dibenzyl-2-[18-[2-(dibenzylamino)-2-oxoethyl]-11,14,22,26-tetrakis(3,5-dimethylphenoxy)-6,8,17,19-tetraoxo-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-dibenzyl-2-[18-[2-(dibenzylamino)-2-oxoethyl]-11,14,22,26-tetrakis(3,5-dimethylphenoxy)-6,8,17,19-tetraoxo-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-dibenzyl-2-[18-[2-(dibenzylamino)-2-oxoethyl]-11,14,22,26-tetrakis(3,5-dimethylphenoxy)-6,8,17,19-tetraoxo-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 Cc1cc(C)cc(Oc2cc3c4c(cc(Oc5cc(C)cc(C)c5)c5c6c(Oc7cc(C)cc(C)c7)cc7c8c(cc(Oc9cc(C)cc(C)c9)c(c2c45)c86)C(=O)N(CC(=O)N(Cc2ccccc2)Cc2ccccc2)C7=O)C(=O)N(CC(=O)N(Cc2ccccc2)Cc2ccccc2)C3=O)c1.

What is the InChIKey of N,N-dibenzyl-2-[18-[2-(dibenzylamino)-2-oxoethyl]-11,14,22,26-tetrakis(3,5-dimethylphenoxy)-6,8,17,19-tetraoxo-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 FYZBRZYRNJPLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H72N4O10/c1-51-29-52(2)34-63(33-51)99-71-41-67-77-68(86(96)91(85(67)95)49-75(93)89(45-59-21-13-9-14-22-59)46-60-23-15-10-16-24-60)43-73(101-65-37-55(5)31-56(6)38-65)81-82-74(102-66-39-57(7)32-58(8)40-66)44-70-78-69(42-72(80(84(78)82)79(71)83(77)81)100-64-35-53(3)30-54(4)36-64)87(97)92(88(70)98)50-76(94)90(47-61-25-17-11-18-26-61)48-62-27-19-12-20-28-62/h9-44H,45-50H2,1-8H3.

What are the key properties of N,N-dibenzyl-2-[18-[2-(dibenzylamino)-2-oxoethyl]-11,14,22,26-tetrakis(3,5-dimethylphenoxy)-6,8,17,19-tetraoxo-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-dibenzyl-2-[18-[2-(dibenzylamino)-2-oxoethyl]-11,14,22,26-tetrakis(3,5-dimethylphenoxy)-6,8,17,19-tetraoxo-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 1345.56 g/mol, XLogP of 19.02, 20 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dibenzyl-2-[18-[2-(dibenzylamino)-2-oxoethyl]-11,14,22,26-tetrakis(3,5-dimethylphenoxy)-6,8,17,19-tetraoxo-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 167319948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).