(E)-ethoxy-[(14E)-3,5,8,20-tetramethyl-12-methylimino-7-oxa-4,5,10,17,18,21-hexazatetracyclo[14.5.2.02,6.019,23]tricosa-1(22),2(6),3,14,16(23),18,20-heptaen-13-ylidene]methanamine

C24H32N8O2 — CID 172572993

IUPAC(E)-ethoxy-[(14E)-3,5,8,20-tetramethyl-12-methylimino-7-oxa-4,5,10,17,18,21-hexazatetracyclo[14.5.2.02,6.019,23]tricosa-1(22),2(6),3,14,16(23),18,20-heptaen-13-ylidene]methanamine
SMILESCCO/C(N)=C1\C=C/c2[nH]nc3c(C)nc(cc23)-c2c(C)nn(C)c2OC(C)CNC\C1=N/C
InChIInChI=1S/C24H32N8O2/c1-7-33-23(25)16-8-9-18-17-10-19(28-15(4)22(17)30-29-18)21-14(3)31-32(6)24(21)34-13(2)11-27-12-20(16)26-5/h8-10,13,27H,7,11-12,25H2,1-6H3,(H,29,30)/b9-8-,23-16+,26-20+
InChIKeyRZUJQMVNJLXHSQ-HUTLWWKNSA-N
MW464.57 g/mol
LogP2.64
Rot. Bonds2

About (E)-ethoxy-[(14E)-3,5,8,20-tetramethyl-12-methylimino-7-oxa-4,5,10,17,18,21-hexazatetracyclo[14.5.2.02,6.019,23]tricosa-1(22),2(6),3,14,16(23),18,20-heptaen-13-ylidene]methanamine

(E)-ethoxy-[(14E)-3,5,8,20-tetramethyl-12-methylimino-7-oxa-4,5,10,17,18,21-hexazatetracyclo[14.5.2.02,6.019,23]tricosa-1(22),2(6),3,14,16(23),18,20-heptaen-13-ylidene]methanamine (PubChem CID 172572993) has the molecular formula C24H32N8O2 and a molecular weight of 464.57 g/mol. Its IUPAC name is (E)-ethoxy-[(14E)-3,5,8,20-tetramethyl-12-methylimino-7-oxa-4,5,10,17,18,21-hexazatetracyclo[14.5.2.02,6.019,23]tricosa-1(22),2(6),3,14,16(23),18,20-heptaen-13-ylidene]methanamine.

Molecular Properties

Compound Name(E)-ethoxy-[(14E)-3,5,8,20-tetramethyl-12-methylimino-7-oxa-4,5,10,17,18,21-hexazatetracyclo[14.5.2.02,6.019,23]tricosa-1(22),2(6),3,14,16(23),18,20-heptaen-13-ylidene]methanamine
PubChem CID172572993
Molecular FormulaC24H32N8O2
Molecular Weight464.57 g/mol
Exact Mass464.26
IUPAC Name(E)-ethoxy-[(14E)-3,5,8,20-tetramethyl-12-methylimino-7-oxa-4,5,10,17,18,21-hexazatetracyclo[14.5.2.02,6.019,23]tricosa-1(22),2(6),3,14,16(23),18,20-heptaen-13-ylidene]methanamine
SMILESCCO/C(N)=C1\C=C/c2[nH]nc3c(C)nc(cc23)-c2c(C)nn(C)c2OC(C)CNC\C1=N/C
InChIInChI=1S/C24H32N8O2/c1-7-33-23(25)16-8-9-18-17-10-19(28-15(4)22(17)30-29-18)21-14(3)31-32(6)24(21)34-13(2)11-27-12-20(16)26-5/h8-10,13,27H,7,11-12,25H2,1-6H3,(H,29,30)/b9-8-,23-16+,26-20+
InChIKeyRZUJQMVNJLXHSQ-HUTLWWKNSA-N
XLogP2.64
TPSA128.26 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (E)-ethoxy-[(14E)-3,5,8,20-tetramethyl-12-methylimino-7-oxa-4,5,10,17,18,21-hexazatetracyclo[14.5.2.02,6.019,23]tricosa-1(22),2(6),3,14,16(23),18,20-heptaen-13-ylidene]methanamine with MolForge

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Related Compounds

(2S)-2-[[(9R,13E,14E)-13-[amino(ethoxy)methylidene]-3,5,8,9,20-pentamethyl-7-oxa-4,5,10,17,18,21-hexazatetracyclo[14.5.2.02,6.019,23]tricosa-1(22),2(6),3,14,16(23),18,20-heptaen-12-ylidene]amino]propan-1-ol
CID 172574014
2-[[(8S,9R,13E,14E)-13-[amino(ethoxy)methylidene]-3,5,8,9,10,20-hexamethyl-7-oxa-4,5,10,17,18,21-hexazatetracyclo[14.5.2.02,6.019,23]tricosa-1(22),2(6),3,14,16(23),18,20-heptaen-12-ylidene]amino]propan-1-ol
CID 172573913
(8S,17E)-3,5,8,10,13,15,23-heptamethyl-7-oxa-4,5,10,13,14,20,21,24-octazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12(16),14,17,19(26),21,23-nonaene
CID 172572915
(2S)-2-[(8S,17E)-15-[ethyl(methyl)amino]-3,5,8,10,14,23-hexamethyl-7-oxa-4,5,10,13,14,20,21,24-octazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12(16),17,19(26),21,23-octaen-13-yl]propan-1-ol
CID 172573270
2-[[(17E)-10-ethyl-13-(1-hydroxypropan-2-yl)-3,5,8,23-tetramethyl-7-oxa-4,5,10,13,14,20,21,24-octazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12(16),14,17,19(26),21,23-nonaen-15-yl]oxy]acetonitrile
CID 172573686
(8S,17E)-3,5,8,10,15,23-hexamethyl-14-(2-pyrrolidin-1-ylethyl)-7-oxa-4,5,10,13,14,20,21,24-octazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12,15,17,19(26),21,23-nonaene
CID 172572848
CID 172573197
CID 172573197
2-[[(8S,17E)-10-(2,2-difluoroethyl)-13-[(2S)-1-hydroxypropan-2-yl]-3,5,8,23-tetramethyl-7-oxa-4,5,10,13,14,20,21,24-octazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12(16),14,17,19(26),21,23-nonaen-15-yl]oxy]acetonitrile
CID 172573207
2-[[(17E)-10-(2,2-difluoroethyl)-13-(1-hydroxypropan-2-yl)-3,5,8,23-tetramethyl-7-oxa-4,5,10,13,14,20,21,24-octazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12(16),14,17,19(26),21,23-nonaen-15-yl]oxy]acetonitrile
CID 172573882
2-[(8S,17E)-5,8,15,23-tetramethyl-3-[2-[(9R,17E)-3,5,9,15,23-pentamethyl-10-propan-2-yl-7-oxa-4,5,10,13,14,20,21,24-octazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12(16),14,17,19(26),21,23-nonaen-13-yl]ethyl]-10-propan-2-yl-7-oxa-4,5,10,13,14,20,21,24-octazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12(16),14,17,19(26),21,23-nonaen-13-yl]ethanol
CID 172573112
2-[[(8R,17E)-8-(difluoromethyl)-3,5,10,13,23-pentamethyl-7-oxa-4,5,10,13,14,20,21,24-octazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12(16),14,17,19(26),21,23-nonaen-15-yl]oxy]acetonitrile
CID 172572720
(2S)-2-[(8S,17E)-10-cyclopropyl-3-(methoxymethyl)-5,8,23-trimethyl-7-oxa-4,5,10,13,14,20,21,24-octazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12(16),14,17,19(26),21,23-nonaen-13-yl]propan-1-ol
CID 172572976

Frequently Asked Questions

What is the IUPAC name of (E)-ethoxy-[(14E)-3,5,8,20-tetramethyl-12-methylimino-7-oxa-4,5,10,17,18,21-hexazatetracyclo[14.5.2.02,6.019,23]tricosa-1(22),2(6),3,14,16(23),18,20-heptaen-13-ylidene]methanamine?
The IUPAC name of (E)-ethoxy-[(14E)-3,5,8,20-tetramethyl-12-methylimino-7-oxa-4,5,10,17,18,21-hexazatetracyclo[14.5.2.02,6.019,23]tricosa-1(22),2(6),3,14,16(23),18,20-heptaen-13-ylidene]methanamine (CID 172572993) is (E)-ethoxy-[(14E)-3,5,8,20-tetramethyl-12-methylimino-7-oxa-4,5,10,17,18,21-hexazatetracyclo[14.5.2.02,6.019,23]tricosa-1(22),2(6),3,14,16(23),18,20-heptaen-13-ylidene]methanamine.
What is the SMILES notation for (E)-ethoxy-[(14E)-3,5,8,20-tetramethyl-12-methylimino-7-oxa-4,5,10,17,18,21-hexazatetracyclo[14.5.2.02,6.019,23]tricosa-1(22),2(6),3,14,16(23),18,20-heptaen-13-ylidene]methanamine?
The canonical SMILES for (E)-ethoxy-[(14E)-3,5,8,20-tetramethyl-12-methylimino-7-oxa-4,5,10,17,18,21-hexazatetracyclo[14.5.2.02,6.019,23]tricosa-1(22),2(6),3,14,16(23),18,20-heptaen-13-ylidene]methanamine is CCO/C(N)=C1\C=C/c2[nH]nc3c(C)nc(cc23)-c2c(C)nn(C)c2OC(C)CNC\C1=N/C.
What is the InChIKey of (E)-ethoxy-[(14E)-3,5,8,20-tetramethyl-12-methylimino-7-oxa-4,5,10,17,18,21-hexazatetracyclo[14.5.2.02,6.019,23]tricosa-1(22),2(6),3,14,16(23),18,20-heptaen-13-ylidene]methanamine?
The InChIKey is RZUJQMVNJLXHSQ-HUTLWWKNSA-N. The full InChI is InChI=1S/C24H32N8O2/c1-7-33-23(25)16-8-9-18-17-10-19(28-15(4)22(17)30-29-18)21-14(3)31-32(6)24(21)34-13(2)11-27-12-20(16)26-5/h8-10,13,27H,7,11-12,25H2,1-6H3,(H,29,30)/b9-8-,23-16+,26-20+.
What are the key properties of (E)-ethoxy-[(14E)-3,5,8,20-tetramethyl-12-methylimino-7-oxa-4,5,10,17,18,21-hexazatetracyclo[14.5.2.02,6.019,23]tricosa-1(22),2(6),3,14,16(23),18,20-heptaen-13-ylidene]methanamine?
(E)-ethoxy-[(14E)-3,5,8,20-tetramethyl-12-methylimino-7-oxa-4,5,10,17,18,21-hexazatetracyclo[14.5.2.02,6.019,23]tricosa-1(22),2(6),3,14,16(23),18,20-heptaen-13-ylidene]methanamine has a molecular weight of 464.57 g/mol, XLogP of 2.64, 2 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-ethoxy-[(14E)-3,5,8,20-tetramethyl-12-methylimino-7-oxa-4,5,10,17,18,21-hexazatetracyclo[14.5.2.02,6.019,23]tricosa-1(22),2(6),3,14,16(23),18,20-heptaen-13-ylidene]methanamine is sourced from PubChem (CID 172572993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).