N-[(Z)-1-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)ethylideneamino]adamantane-1-carboxamide

C29H32N2O — CID 171980978

IUPACN-[(Z)-1-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)ethylideneamino]adamantane-1-carboxamide
SMILESC/C(=N/NC(=O)C12CC3CC(CC(C3)C1)C2)C1CC2c3ccccc3C1c1ccccc12
InChIInChI=1S/C29H32N2O/c1-17(30-31-28(32)29-14-18-10-19(15-29)12-20(11-18)16-29)25-13-26-21-6-2-4-8-23(21)27(25)24-9-5-3-7-22(24)26/h2-9,18-20,25-27H,10-16H2,1H3,(H,31,32)/b30-17-
InChIKeyOUCBLMWABWTIGT-LQNQUEJISA-N
MW424.59 g/mol
LogP5.99
Rot. Bonds3

About N-[(Z)-1-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)ethylideneamino]adamantane-1-carboxamide

N-[(Z)-1-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)ethylideneamino]adamantane-1-carboxamide (PubChem CID 171980978) has the molecular formula C29H32N2O and a molecular weight of 424.59 g/mol. Its IUPAC name is N-[(Z)-1-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)ethylideneamino]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)ethylideneamino]adamantane-1-carboxamide
PubChem CID171980978
Molecular FormulaC29H32N2O
Molecular Weight424.59 g/mol
Exact Mass424.25
IUPAC NameN-[(Z)-1-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)ethylideneamino]adamantane-1-carboxamide
SMILESC/C(=N/NC(=O)C12CC3CC(CC(C3)C1)C2)C1CC2c3ccccc3C1c1ccccc12
InChIInChI=1S/C29H32N2O/c1-17(30-31-28(32)29-14-18-10-19(15-29)12-20(11-18)16-29)25-13-26-21-6-2-4-8-23(21)27(25)24-9-5-3-7-22(24)26/h2-9,18-20,25-27H,10-16H2,1H3,(H,31,32)/b30-17-
InChIKeyOUCBLMWABWTIGT-LQNQUEJISA-N
XLogP5.99
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.59
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(Z)-1-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)ethylideneamino]adamantane-1-carboxamide with MolForge

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Related Compounds

2-phenyl-N-[(E)-1-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)ethylideneamino]acetamide
CID 56697504
2-fluoro-N-[(E)-1-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)ethylideneamino]benzamide
CID 56697640
N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]adamantane-1-carboxamide
CID 136776131
N-(1-phenylbutylideneamino)adamantane-1-carboxamide
CID 4275129
N-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]adamantane-1-carboxamide
CID 6025045
N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]adamantane-1-carboxamide
CID 137034851
N-(benzylideneamino)adamantane-1-carboxamide
CID 2837531
N-[1-(1-adamantyl)ethylideneamino]benzamide
CID 4099751
N-[(E)-1-(3-nitrophenyl)ethylideneamino]adamantane-1-carboxamide
CID 18528037
N-[(Z)-(2-hydroxyphenyl)methylideneamino]adamantane-1-carboxamide
CID 136705004
N-(benzenecarbonothioyl)adamantane-1-carboxamide
CID 135032274
1-[(E)-1-(1-adamantyl)ethylideneamino]-3-(furan-2-ylmethyl)urea
CID 95068239

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)ethylideneamino]adamantane-1-carboxamide?
The IUPAC name of N-[(Z)-1-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)ethylideneamino]adamantane-1-carboxamide (CID 171980978) is N-[(Z)-1-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)ethylideneamino]adamantane-1-carboxamide.
What is the SMILES notation for N-[(Z)-1-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)ethylideneamino]adamantane-1-carboxamide?
The canonical SMILES for N-[(Z)-1-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)ethylideneamino]adamantane-1-carboxamide is C/C(=N/NC(=O)C12CC3CC(CC(C3)C1)C2)C1CC2c3ccccc3C1c1ccccc12.
What is the InChIKey of N-[(Z)-1-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)ethylideneamino]adamantane-1-carboxamide?
The InChIKey is OUCBLMWABWTIGT-LQNQUEJISA-N. The full InChI is InChI=1S/C29H32N2O/c1-17(30-31-28(32)29-14-18-10-19(15-29)12-20(11-18)16-29)25-13-26-21-6-2-4-8-23(21)27(25)24-9-5-3-7-22(24)26/h2-9,18-20,25-27H,10-16H2,1H3,(H,31,32)/b30-17-.
What are the key properties of N-[(Z)-1-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)ethylideneamino]adamantane-1-carboxamide?
N-[(Z)-1-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)ethylideneamino]adamantane-1-carboxamide has a molecular weight of 424.59 g/mol, XLogP of 5.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)ethylideneamino]adamantane-1-carboxamide is sourced from PubChem (CID 171980978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).