N-[2-(oxiran-2-ylmethoxy)ethyl]-2-pyridin-2-yl-2-[11,14,22,26-tetrakis(2,4-dimethylphenoxy)-18-[2-[2-(ethoxymethoxy)ethylamino]-2-oxo-1-pyridin-2-ylethyl]-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

C80H72N6O14 — CID 167210970

About N-[2-(oxiran-2-ylmethoxy)ethyl]-2-pyridin-2-yl-2-[11,14,22,26-tetrakis(2,4-dimethylphenoxy)-18-[2-[2-(ethoxymethoxy)ethylamino]-2-oxo-1-pyridin-2-ylethyl]-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-[2-(oxiran-2-ylmethoxy)ethyl]-2-pyridin-2-yl-2-[11,14,22,26-tetrakis(2,4-dimethylphenoxy)-18-[2-[2-(ethoxymethoxy)ethylamino]-2-oxo-1-pyridin-2-ylethyl]-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 167210970) has the molecular formula C80H72N6O14 and a molecular weight of 1341.48 g/mol. Its IUPAC name is N-[2-(oxiran-2-ylmethoxy)ethyl]-2-pyridin-2-yl-2-[11,14,22,26-tetrakis(2,4-dimethylphenoxy)-18-[2-[2-(ethoxymethoxy)ethylamino]-2-oxo-1-pyridin-2-ylethyl]-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-[2-(oxiran-2-ylmethoxy)ethyl]-2-pyridin-2-yl-2-[11,14,22,26-tetrakis(2,4-dimethylphenoxy)-18-[2-[2-(ethoxymethoxy)ethylamino]-2-oxo-1-pyridin-2-ylethyl]-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: 167210970
• Molecular Formula: C80H72N6O14
• Molecular Weight: 1341.48 g/mol
• Exact Mass: 1340.51
• IUPAC Name: N-[2-(oxiran-2-ylmethoxy)ethyl]-2-pyridin-2-yl-2-[11,14,22,26-tetrakis(2,4-dimethylphenoxy)-18-[2-[2-(ethoxymethoxy)ethylamino]-2-oxo-1-pyridin-2-ylethyl]-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: CCOCOCCNC(=O)C(c1ccccn1)N1C(=O)c2cc(Oc3ccc(C)cc3C)c3c4c(Oc5ccc(C)cc5C)cc5c6c(cc(Oc7ccc(C)cc7C)c(c7c(Oc8ccc(C)cc8C)cc(c2c37)C1=O)c64)C(=O)N(C(C(=O)NCCOCC1CO1)c1ccccn1)C5=O
• InChI: InChI=1S/C80H72N6O14/c1-10-93-41-95-30-28-84-76(88)74(56-16-12-14-26-82-56)86-79(91)53-37-63(99-59-23-19-44(4)33-48(59)8)69-67-61(97-57-21-17-42(2)31-46(57)6)35-51-65-52(78(90)85(77(51)89)73(55-15-11-13-25-81-55)75(87)83-27-29-94-39-50-40-96-50)36-62(98-58-22-18-43(3)32-47(58)7)68(71(65)67)70-64(38-54(80(86)92)66(53)72(69)70)100-60-24-20-45(5)34-49(60)9/h11-26,31-38,50,73-74H,10,27-30,39-41H2,1-9H3,(H,83,87)(H,84,88)
• InChIKey: VWIPYABSOFWXRL-UHFFFAOYSA-N
• XLogP: 14.50
• TPSA: 235.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 25
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1341.48
LogP ≤ 5	14.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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-[2-(oxiran-2-ylmethoxy)ethyl]-2-pyridin-2-yl-2-[11,14,22,26-tetrakis(2,4-dimethylphenoxy)-18-[2-[2-(ethoxymethoxy)ethylamino]-2-oxo-1-pyridin-2-ylethyl]-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-[2-(oxiran-2-ylmethoxy)ethyl]-2-pyridin-2-yl-2-[11,14,22,26-tetrakis(2,4-dimethylphenoxy)-18-[2-[2-(ethoxymethoxy)ethylamino]-2-oxo-1-pyridin-2-ylethyl]-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 167210970) is N-[2-(oxiran-2-ylmethoxy)ethyl]-2-pyridin-2-yl-2-[11,14,22,26-tetrakis(2,4-dimethylphenoxy)-18-[2-[2-(ethoxymethoxy)ethylamino]-2-oxo-1-pyridin-2-ylethyl]-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-[2-(oxiran-2-ylmethoxy)ethyl]-2-pyridin-2-yl-2-[11,14,22,26-tetrakis(2,4-dimethylphenoxy)-18-[2-[2-(ethoxymethoxy)ethylamino]-2-oxo-1-pyridin-2-ylethyl]-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-[2-(oxiran-2-ylmethoxy)ethyl]-2-pyridin-2-yl-2-[11,14,22,26-tetrakis(2,4-dimethylphenoxy)-18-[2-[2-(ethoxymethoxy)ethylamino]-2-oxo-1-pyridin-2-ylethyl]-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 CCOCOCCNC(=O)C(c1ccccn1)N1C(=O)c2cc(Oc3ccc(C)cc3C)c3c4c(Oc5ccc(C)cc5C)cc5c6c(cc(Oc7ccc(C)cc7C)c(c7c(Oc8ccc(C)cc8C)cc(c2c37)C1=O)c64)C(=O)N(C(C(=O)NCCOCC1CO1)c1ccccn1)C5=O.

What is the InChIKey of N-[2-(oxiran-2-ylmethoxy)ethyl]-2-pyridin-2-yl-2-[11,14,22,26-tetrakis(2,4-dimethylphenoxy)-18-[2-[2-(ethoxymethoxy)ethylamino]-2-oxo-1-pyridin-2-ylethyl]-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 VWIPYABSOFWXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H72N6O14/c1-10-93-41-95-30-28-84-76(88)74(56-16-12-14-26-82-56)86-79(91)53-37-63(99-59-23-19-44(4)33-48(59)8)69-67-61(97-57-21-17-42(2)31-46(57)6)35-51-65-52(78(90)85(77(51)89)73(55-15-11-13-25-81-55)75(87)83-27-29-94-39-50-40-96-50)36-62(98-58-22-18-43(3)32-47(58)7)68(71(65)67)70-64(38-54(80(86)92)66(53)72(69)70)100-60-24-20-45(5)34-49(60)9/h11-26,31-38,50,73-74H,10,27-30,39-41H2,1-9H3,(H,83,87)(H,84,88).

What are the key properties of N-[2-(oxiran-2-ylmethoxy)ethyl]-2-pyridin-2-yl-2-[11,14,22,26-tetrakis(2,4-dimethylphenoxy)-18-[2-[2-(ethoxymethoxy)ethylamino]-2-oxo-1-pyridin-2-ylethyl]-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-[2-(oxiran-2-ylmethoxy)ethyl]-2-pyridin-2-yl-2-[11,14,22,26-tetrakis(2,4-dimethylphenoxy)-18-[2-[2-(ethoxymethoxy)ethylamino]-2-oxo-1-pyridin-2-ylethyl]-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 1341.48 g/mol, XLogP of 14.50, 25 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(oxiran-2-ylmethoxy)ethyl]-2-pyridin-2-yl-2-[11,14,22,26-tetrakis(2,4-dimethylphenoxy)-18-[2-[2-(ethoxymethoxy)ethylamino]-2-oxo-1-pyridin-2-ylethyl]-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 167210970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).