2-methyl-N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)propanamide

C17H20N2O2 — CID 137260457

IUPAC2-methyl-N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)propanamide
SMILESCC(C)C(=O)/N=C1\C=CC2C(=C1)NC(=O)C1=C2CCCC1
InChIInChI=1S/C17H20N2O2/c1-10(2)16(20)18-11-7-8-13-12-5-3-4-6-14(12)17(21)19-15(13)9-11/h7-10,13H,3-6H2,1-2H3,(H,19,21)/b18-11+
InChIKeyFLSGFKNEOCTQSF-WOJGMQOQSA-N
MW284.36 g/mol
LogP2.68
Rot. Bonds1

About 2-methyl-N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)propanamide

2-methyl-N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)propanamide (PubChem CID 137260457) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-methyl-N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)propanamide.

Molecular Properties

Compound Name2-methyl-N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)propanamide
PubChem CID137260457
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-methyl-N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)propanamide
SMILESCC(C)C(=O)/N=C1\C=CC2C(=C1)NC(=O)C1=C2CCCC1
InChIInChI=1S/C17H20N2O2/c1-10(2)16(20)18-11-7-8-13-12-5-3-4-6-14(12)17(21)19-15(13)9-11/h7-10,13H,3-6H2,1-2H3,(H,19,21)/b18-11+
InChIKeyFLSGFKNEOCTQSF-WOJGMQOQSA-N
XLogP2.68
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)propanamide 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

ethyl (NZ)-N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)carbamate
CID 137260565
N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)adamantane-1-carboxamide
CID 137260470
2-[methyl(methylsulfonyl)amino]-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)acetamide
CID 137260415
2-methyl-N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 137260585
N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)pyridine-2-carboxamide
CID 137260397
N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)thiophene-3-carboxamide
CID 137260398
2-(4-chlorophenoxy)-2-methyl-N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)propanamide
CID 137260537
2-chloro-6-fluoro-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)benzamide
CID 137260305
7-methoxy-N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)-1-benzofuran-2-carboxamide
CID 137260221
N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)-2-propylpentanamide
CID 137259322
2-cyclohexyl-N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide
CID 137259395
N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclohex-3-ene-1-carboxamide
CID 137259660

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)propanamide?
The IUPAC name of 2-methyl-N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)propanamide (CID 137260457) is 2-methyl-N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)propanamide.
What is the SMILES notation for 2-methyl-N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)propanamide?
The canonical SMILES for 2-methyl-N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)propanamide is CC(C)C(=O)/N=C1\C=CC2C(=C1)NC(=O)C1=C2CCCC1.
What is the InChIKey of 2-methyl-N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)propanamide?
The InChIKey is FLSGFKNEOCTQSF-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-10(2)16(20)18-11-7-8-13-12-5-3-4-6-14(12)17(21)19-15(13)9-11/h7-10,13H,3-6H2,1-2H3,(H,19,21)/b18-11+.
What are the key properties of 2-methyl-N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)propanamide?
2-methyl-N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)propanamide has a molecular weight of 284.36 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)propanamide is sourced from PubChem (CID 137260457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).