N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)adamantane-1-carboxamide

C24H28N2O2 — CID 137260470

IUPACN-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)adamantane-1-carboxamide
SMILESO=C1NC2=C/C(=N/C(=O)C34CC5CC(CC(C5)C3)C4)C=CC2C2=C1CCCC2
InChIInChI=1S/C24H28N2O2/c27-22-20-4-2-1-3-18(20)19-6-5-17(10-21(19)26-22)25-23(28)24-11-14-7-15(12-24)9-16(8-14)13-24/h5-6,10,14-16,19H,1-4,7-9,11-13H2,(H,26,27)/b25-17+
InChIKeyJRVAMSNCNRFNOU-KOEQRZSOSA-N
MW376.50 g/mol
LogP4.24
Rot. Bonds1

About N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)adamantane-1-carboxamide

N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)adamantane-1-carboxamide (PubChem CID 137260470) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)adamantane-1-carboxamide
PubChem CID137260470
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC NameN-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)adamantane-1-carboxamide
SMILESO=C1NC2=C/C(=N/C(=O)C34CC5CC(CC(C5)C3)C4)C=CC2C2=C1CCCC2
InChIInChI=1S/C24H28N2O2/c27-22-20-4-2-1-3-18(20)19-6-5-17(10-21(19)26-22)25-23(28)24-11-14-7-15(12-24)9-16(8-14)13-24/h5-6,10,14-16,19H,1-4,7-9,11-13H2,(H,26,27)/b25-17+
InChIKeyJRVAMSNCNRFNOU-KOEQRZSOSA-N
XLogP4.24
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclohexanecarboxamide
CID 137259164
2-cyclohexyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide
CID 137259165
3-cyclohexyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide
CID 137259167
N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)adamantane-1-carboxamide
CID 137259168
4-butyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclohexane-1-carboxamide
CID 137259171
N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)cyclohexanecarboxamide
CID 137259325
2-cyclohexyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)acetamide
CID 137259326
3-cyclohexyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)propanamide
CID 137259328
N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)adamantane-1-carboxamide
CID 137259329
4-butyl-N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)cyclohexane-1-carboxamide
CID 137259332
N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclohexanecarboxamide
CID 137259394
2-cyclohexyl-N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide
CID 137259395

Frequently Asked Questions

What is the IUPAC name of N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)adamantane-1-carboxamide?
The IUPAC name of N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)adamantane-1-carboxamide (CID 137260470) is N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)adamantane-1-carboxamide.
What is the SMILES notation for N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)adamantane-1-carboxamide?
The canonical SMILES for N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)adamantane-1-carboxamide is O=C1NC2=C/C(=N/C(=O)C34CC5CC(CC(C5)C3)C4)C=CC2C2=C1CCCC2.
What is the InChIKey of N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)adamantane-1-carboxamide?
The InChIKey is JRVAMSNCNRFNOU-KOEQRZSOSA-N. The full InChI is InChI=1S/C24H28N2O2/c27-22-20-4-2-1-3-18(20)19-6-5-17(10-21(19)26-22)25-23(28)24-11-14-7-15(12-24)9-16(8-14)13-24/h5-6,10,14-16,19H,1-4,7-9,11-13H2,(H,26,27)/b25-17+.
What are the key properties of N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)adamantane-1-carboxamide?
N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)adamantane-1-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 4.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)adamantane-1-carboxamide is sourced from PubChem (CID 137260470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).