2-[5-(2-amino-2-oxoethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]acetamide;3-[5-(2-amino-2-oxoethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]propanamide;4-N,5-N-di(ethylidene)tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4,5-dicarboxamide;tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4,5-dicarboxamide

C65H86N8O8 — CID 158805322

IUPAC2-[5-(2-amino-2-oxoethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]acetamide;3-[5-(2-amino-2-oxoethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]propanamide;4-N,5-N-di(ethylidene)tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4,5-dicarboxamide;tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4,5-dicarboxamide
SMILESC/C=N/C(=O)C1C2CC(C1C(=O)/N=C/C)C1C3C=CC(C3)C21.NC(=O)C1C2CC(C1C(N)=O)C1C3C=CC(C3)C21.NC(=O)CC1C(CC(N)=O)C2CC1C1C3C=CC(C3)C21.NC(=O)CCC1C(CC(N)=O)C2CC1C1C3C=CC(C3)C21
InChIInChI=1S/C18H22N2O2.C17H24N2O2.C16H22N2O2.C14H18N2O2/c1-3-19-17(21)15-11-8-12(16(15)18(22)20-4-2)14-10-6-5-9(7-10)13(11)14;18-14(20)4-3-10-11(7-15(19)21)13-6-12(10)16-8-1-2-9(5-8)17(13)16;17-13(19)5-9-10(6-14(18)20)12-4-11(9)15-7-1-2-8(3-7)16(12)15;15-13(17)11-7-4-8(12(11)14(16)18)10-6-2-1-5(3-6)9(7)10/h3-6,9-16H,7-8H2,1-2H3;1-2,8-13,16-17H,3-7H2,(H2,18,20)(H2,19,21);1-2,7-12,15-16H,3-6H2,(H2,17,19)(H2,18,20);1-2,5-12H,3-4H2,(H2,15,17)(H2,16,18)/b19-3+,20-4+;;;
InChIKeyITZRHVSKRLTEMD-TXLMFAFZSA-N
MW1107.45 g/mol
LogP5.32
Rot. Bonds13

About 2-[5-(2-amino-2-oxoethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]acetamide;3-[5-(2-amino-2-oxoethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]propanamide;4-N,5-N-di(ethylidene)tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4,5-dicarboxamide;tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4,5-dicarboxamide

2-[5-(2-amino-2-oxoethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]acetamide;3-[5-(2-amino-2-oxoethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]propanamide;4-N,5-N-di(ethylidene)tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4,5-dicarboxamide;tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4,5-dicarboxamide (PubChem CID 158805322) has the molecular formula C65H86N8O8 and a molecular weight of 1107.45 g/mol. Its IUPAC name is 2-[5-(2-amino-2-oxoethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]acetamide;3-[5-(2-amino-2-oxoethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]propanamide;4-N,5-N-di(ethylidene)tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4,5-dicarboxamide;tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4,5-dicarboxamide.

Molecular Properties

Compound Name2-[5-(2-amino-2-oxoethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]acetamide;3-[5-(2-amino-2-oxoethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]propanamide;4-N,5-N-di(ethylidene)tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4,5-dicarboxamide;tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4,5-dicarboxamide
PubChem CID158805322
Molecular FormulaC65H86N8O8
Molecular Weight1107.45 g/mol
Exact Mass1106.66
IUPAC Name2-[5-(2-amino-2-oxoethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]acetamide;3-[5-(2-amino-2-oxoethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]propanamide;4-N,5-N-di(ethylidene)tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4,5-dicarboxamide;tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4,5-dicarboxamide
SMILESC/C=N/C(=O)C1C2CC(C1C(=O)/N=C/C)C1C3C=CC(C3)C21.NC(=O)C1C2CC(C1C(N)=O)C1C3C=CC(C3)C21.NC(=O)CC1C(CC(N)=O)C2CC1C1C3C=CC(C3)C21.NC(=O)CCC1C(CC(N)=O)C2CC1C1C3C=CC(C3)C21
InChIInChI=1S/C18H22N2O2.C17H24N2O2.C16H22N2O2.C14H18N2O2/c1-3-19-17(21)15-11-8-12(16(15)18(22)20-4-2)14-10-6-5-9(7-10)13(11)14;18-14(20)4-3-10-11(7-15(19)21)13-6-12(10)16-8-1-2-9(5-8)17(13)16;17-13(19)5-9-10(6-14(18)20)12-4-11(9)15-7-1-2-8(3-7)16(12)15;15-13(17)11-7-4-8(12(11)14(16)18)10-6-2-1-5(3-6)9(7)10/h3-6,9-16H,7-8H2,1-2H3;1-2,8-13,16-17H,3-7H2,(H2,18,20)(H2,19,21);1-2,7-12,15-16H,3-6H2,(H2,17,19)(H2,18,20);1-2,5-12H,3-4H2,(H2,15,17)(H2,16,18)/b19-3+,20-4+;;;
InChIKeyITZRHVSKRLTEMD-TXLMFAFZSA-N
XLogP5.32
TPSA317.40 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001107.45
LogP ≤ 55.32
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[5-(2-amino-2-oxoethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]acetamide;3-[5-(2-amino-2-oxoethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]propanamide;4-N,5-N-di(ethylidene)tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4,5-dicarboxamide;tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4,5-dicarboxamide with MolForge

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Related Compounds

4-(3-ethyl-2-bicyclo[2.2.1]hept-5-enyl)butanamide
CID 59748366
2-(5-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl)ethyl acetate
CID 59748123
tert-butyl 5-(hydroxymethyl)tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
CID 139892609
3-[5-(2-oxoethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]propanal
CID 59748033
(4-tert-butylcyclohexyl) 3-[5-[3-(4-tert-butylcyclohexyl)oxy-3-oxopropyl]-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]propanoate
CID 139807411
5-ethoxycarbonyltetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylic acid
CID 141321163
methyl 5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]hexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadec-11-ene-4-carboxylate
CID 139796943
9,10-bis(methoxymethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene
CID 59748363
(1S,2S,3R,6R,7R,10S,11S,12S)-2-[(E)-dec-8-enyl]tetracyclo[8.2.1.03,12.06,11]trideca-4,8-diene-7-carboxylic acid
CID 162821316
(1S,2S,3S,4S)-3-carbamoylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 7218089
tert-butyl 5-hydroxytetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
CID 139892607
(1S,2S,3S,4S)-3-carbamoylbicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 7218088

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-amino-2-oxoethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]acetamide;3-[5-(2-amino-2-oxoethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]propanamide;4-N,5-N-di(ethylidene)tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4,5-dicarboxamide;tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4,5-dicarboxamide?
The IUPAC name of 2-[5-(2-amino-2-oxoethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]acetamide;3-[5-(2-amino-2-oxoethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]propanamide;4-N,5-N-di(ethylidene)tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4,5-dicarboxamide;tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4,5-dicarboxamide (CID 158805322) is 2-[5-(2-amino-2-oxoethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]acetamide;3-[5-(2-amino-2-oxoethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]propanamide;4-N,5-N-di(ethylidene)tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4,5-dicarboxamide;tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4,5-dicarboxamide.
What is the SMILES notation for 2-[5-(2-amino-2-oxoethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]acetamide;3-[5-(2-amino-2-oxoethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]propanamide;4-N,5-N-di(ethylidene)tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4,5-dicarboxamide;tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4,5-dicarboxamide?
The canonical SMILES for 2-[5-(2-amino-2-oxoethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]acetamide;3-[5-(2-amino-2-oxoethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]propanamide;4-N,5-N-di(ethylidene)tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4,5-dicarboxamide;tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4,5-dicarboxamide is C/C=N/C(=O)C1C2CC(C1C(=O)/N=C/C)C1C3C=CC(C3)C21.NC(=O)C1C2CC(C1C(N)=O)C1C3C=CC(C3)C21.NC(=O)CC1C(CC(N)=O)C2CC1C1C3C=CC(C3)C21.NC(=O)CCC1C(CC(N)=O)C2CC1C1C3C=CC(C3)C21.
What is the InChIKey of 2-[5-(2-amino-2-oxoethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]acetamide;3-[5-(2-amino-2-oxoethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]propanamide;4-N,5-N-di(ethylidene)tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4,5-dicarboxamide;tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4,5-dicarboxamide?
The InChIKey is ITZRHVSKRLTEMD-TXLMFAFZSA-N. The full InChI is InChI=1S/C18H22N2O2.C17H24N2O2.C16H22N2O2.C14H18N2O2/c1-3-19-17(21)15-11-8-12(16(15)18(22)20-4-2)14-10-6-5-9(7-10)13(11)14;18-14(20)4-3-10-11(7-15(19)21)13-6-12(10)16-8-1-2-9(5-8)17(13)16;17-13(19)5-9-10(6-14(18)20)12-4-11(9)15-7-1-2-8(3-7)16(12)15;15-13(17)11-7-4-8(12(11)14(16)18)10-6-2-1-5(3-6)9(7)10/h3-6,9-16H,7-8H2,1-2H3;1-2,8-13,16-17H,3-7H2,(H2,18,20)(H2,19,21);1-2,7-12,15-16H,3-6H2,(H2,17,19)(H2,18,20);1-2,5-12H,3-4H2,(H2,15,17)(H2,16,18)/b19-3+,20-4+;;;.
What are the key properties of 2-[5-(2-amino-2-oxoethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]acetamide;3-[5-(2-amino-2-oxoethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]propanamide;4-N,5-N-di(ethylidene)tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4,5-dicarboxamide;tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4,5-dicarboxamide?
2-[5-(2-amino-2-oxoethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]acetamide;3-[5-(2-amino-2-oxoethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]propanamide;4-N,5-N-di(ethylidene)tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4,5-dicarboxamide;tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4,5-dicarboxamide has a molecular weight of 1107.45 g/mol, XLogP of 5.32, 13 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-amino-2-oxoethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]acetamide;3-[5-(2-amino-2-oxoethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodec-9-enyl]propanamide;4-N,5-N-di(ethylidene)tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4,5-dicarboxamide;tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4,5-dicarboxamide is sourced from PubChem (CID 158805322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).