N-(2-ethoxyethyl)-2-[11,14,22,26-tetrakis(4-tert-butylphenoxy)-18-[2-(2-ethoxyethylamino)-2-oxoethyl]-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

C76H80N4O12 — CID 167319949

IUPACN-(2-ethoxyethyl)-2-[11,14,22,26-tetrakis(4-tert-butylphenoxy)-18-[2-(2-ethoxyethylamino)-2-oxoethyl]-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
SMILESCCOCCNC(=O)CN1C(=O)c2cc(Oc3ccc(C(C)(C)C)cc3)c3c4c(Oc5ccc(C(C)(C)C)cc5)cc5c6c(cc(Oc7ccc(C(C)(C)C)cc7)c(c7c(Oc8ccc(C(C)(C)C)cc8)cc(c2c37)C1=O)c64)C(=O)N(CC(=O)NCCOCC)C5=O
InChIInChI=1S/C76H80N4O12/c1-15-87-35-33-77-59(81)41-79-69(83)51-37-55(89-47-25-17-43(18-26-47)73(3,4)5)63-65-57(91-49-29-21-45(22-30-49)75(9,10)11)39-53-62-54(72(86)80(71(53)85)42-60(82)78-34-36-88-16-2)40-58(92-50-31-23-46(24-32-50)76(12,13)14)66(68(62)65)64-56(38-52(70(79)84)61(51)67(63)64)90-48-27-19-44(20-28-48)74(6,7)8/h17-32,37-40H,15-16,33-36,41-42H2,1-14H3,(H,77,81)(H,78,82)
InChIKeyIGUCIVIWGVWIFZ-UHFFFAOYSA-N
MW1241.49 g/mol
LogP15.59
Rot. Bonds20

About N-(2-ethoxyethyl)-2-[11,14,22,26-tetrakis(4-tert-butylphenoxy)-18-[2-(2-ethoxyethylamino)-2-oxoethyl]-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-ethoxyethyl)-2-[11,14,22,26-tetrakis(4-tert-butylphenoxy)-18-[2-(2-ethoxyethylamino)-2-oxoethyl]-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 167319949) has the molecular formula C76H80N4O12 and a molecular weight of 1241.49 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-2-[11,14,22,26-tetrakis(4-tert-butylphenoxy)-18-[2-(2-ethoxyethylamino)-2-oxoethyl]-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 NameN-(2-ethoxyethyl)-2-[11,14,22,26-tetrakis(4-tert-butylphenoxy)-18-[2-(2-ethoxyethylamino)-2-oxoethyl]-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 CID167319949
Molecular FormulaC76H80N4O12
Molecular Weight1241.49 g/mol
Exact Mass1240.58
IUPAC NameN-(2-ethoxyethyl)-2-[11,14,22,26-tetrakis(4-tert-butylphenoxy)-18-[2-(2-ethoxyethylamino)-2-oxoethyl]-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
SMILESCCOCCNC(=O)CN1C(=O)c2cc(Oc3ccc(C(C)(C)C)cc3)c3c4c(Oc5ccc(C(C)(C)C)cc5)cc5c6c(cc(Oc7ccc(C(C)(C)C)cc7)c(c7c(Oc8ccc(C(C)(C)C)cc8)cc(c2c37)C1=O)c64)C(=O)N(CC(=O)NCCOCC)C5=O
InChIInChI=1S/C76H80N4O12/c1-15-87-35-33-77-59(81)41-79-69(83)51-37-55(89-47-25-17-43(18-26-47)73(3,4)5)63-65-57(91-49-29-21-45(22-30-49)75(9,10)11)39-53-62-54(72(86)80(71(53)85)42-60(82)78-34-36-88-16-2)40-58(92-50-31-23-46(24-32-50)76(12,13)14)66(68(62)65)64-56(38-52(70(79)84)61(51)67(63)64)90-48-27-19-44(20-28-48)74(6,7)8/h17-32,37-40H,15-16,33-36,41-42H2,1-14H3,(H,77,81)(H,78,82)
InChIKeyIGUCIVIWGVWIFZ-UHFFFAOYSA-N
XLogP15.59
TPSA188.34 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001241.49
LogP ≤ 515.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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'}

Analyze N-(2-ethoxyethyl)-2-[11,14,22,26-tetrakis(4-tert-butylphenoxy)-18-[2-(2-ethoxyethylamino)-2-oxoethyl]-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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

11,14,22,26-tetrakis(4-tert-butylphenoxy)-7,18-dioctadecyl-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-decaene-6,8,17,19-tetrone
CID 56641776
[2-[[2-[11,14,22,26-tetrakis(4-tert-butylphenoxy)-18-[2-[[4-(2-methylidenebutanoyloxy)-2-pyridinyl]amino]-2-oxoethyl]-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]acetyl]amino]-4-pyridinyl] 2-methylidenebutanoate
CID 166049990
2-[2-[[2-[11,14-bis(4-methylphenoxy)-18-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethylamino]-2-oxoethyl]-6,8,17,19-tetraoxo-22,26-diphenoxy-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]acetyl]amino]ethoxy]ethyl 2-methylprop-2-enoate
CID 166049996
N-[2-(4-tert-butylphenoxy)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 9017558
2-(oxiran-2-ylmethylamino)ethyl 2-[11,14,22,26-tetrakis(4-tert-butylphenoxy)-18-[2-[2-(oxiran-2-ylmethylamino)ethoxy]-2-oxoethyl]-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]acetate
CID 166050093
N,N-bis[4-(oxiran-2-ylmethoxy)phenyl]-2-[11,14,22,26-tetrakis(4-tert-butylphenoxy)-18-[2-[4-(oxiran-2-ylmethoxy)-N-[4-(oxiran-2-ylmethoxy)phenyl]anilino]-2-oxoethyl]-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 166049527
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
2-[18-butyl-11,14,22,26-tetrakis(4-tert-butylphenoxy)-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]ethyl 2-cyanoacetate
CID 102388593
N-[2-(4-tert-butylphenoxy)ethyl]-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 9342014
2-(1,3-dioxoisoindol-2-yl)-N-(3-ethoxypropyl)acetamide
CID 26776141
11,22-bis(4-tert-butylphenoxy)-7,18-bis(3-triethoxysilylpropyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone
CID 15869296
11,14,22,26-tetrakis(4-butoxyphenoxy)-7,18-dipropyl-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-decaene-6,8,17,19-tetrone
CID 102053204

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-2-[11,14,22,26-tetrakis(4-tert-butylphenoxy)-18-[2-(2-ethoxyethylamino)-2-oxoethyl]-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-ethoxyethyl)-2-[11,14,22,26-tetrakis(4-tert-butylphenoxy)-18-[2-(2-ethoxyethylamino)-2-oxoethyl]-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 167319949) is N-(2-ethoxyethyl)-2-[11,14,22,26-tetrakis(4-tert-butylphenoxy)-18-[2-(2-ethoxyethylamino)-2-oxoethyl]-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-ethoxyethyl)-2-[11,14,22,26-tetrakis(4-tert-butylphenoxy)-18-[2-(2-ethoxyethylamino)-2-oxoethyl]-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-ethoxyethyl)-2-[11,14,22,26-tetrakis(4-tert-butylphenoxy)-18-[2-(2-ethoxyethylamino)-2-oxoethyl]-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 CCOCCNC(=O)CN1C(=O)c2cc(Oc3ccc(C(C)(C)C)cc3)c3c4c(Oc5ccc(C(C)(C)C)cc5)cc5c6c(cc(Oc7ccc(C(C)(C)C)cc7)c(c7c(Oc8ccc(C(C)(C)C)cc8)cc(c2c37)C1=O)c64)C(=O)N(CC(=O)NCCOCC)C5=O.
What is the InChIKey of N-(2-ethoxyethyl)-2-[11,14,22,26-tetrakis(4-tert-butylphenoxy)-18-[2-(2-ethoxyethylamino)-2-oxoethyl]-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 IGUCIVIWGVWIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H80N4O12/c1-15-87-35-33-77-59(81)41-79-69(83)51-37-55(89-47-25-17-43(18-26-47)73(3,4)5)63-65-57(91-49-29-21-45(22-30-49)75(9,10)11)39-53-62-54(72(86)80(71(53)85)42-60(82)78-34-36-88-16-2)40-58(92-50-31-23-46(24-32-50)76(12,13)14)66(68(62)65)64-56(38-52(70(79)84)61(51)67(63)64)90-48-27-19-44(20-28-48)74(6,7)8/h17-32,37-40H,15-16,33-36,41-42H2,1-14H3,(H,77,81)(H,78,82).
What are the key properties of N-(2-ethoxyethyl)-2-[11,14,22,26-tetrakis(4-tert-butylphenoxy)-18-[2-(2-ethoxyethylamino)-2-oxoethyl]-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-ethoxyethyl)-2-[11,14,22,26-tetrakis(4-tert-butylphenoxy)-18-[2-(2-ethoxyethylamino)-2-oxoethyl]-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 1241.49 g/mol, XLogP of 15.59, 20 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-2-[11,14,22,26-tetrakis(4-tert-butylphenoxy)-18-[2-(2-ethoxyethylamino)-2-oxoethyl]-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 167319949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).