2-(4-ethoxyphenoxy)-N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)acetamide

C23H24N2O4 — CID 137260541

IUPAC2-(4-ethoxyphenoxy)-N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)acetamide
SMILESCCOc1ccc(OCC(=O)/N=C2\C=CC3C(=C2)NC(=O)C2=C3CCCC2)cc1
InChIInChI=1S/C23H24N2O4/c1-2-28-16-8-10-17(11-9-16)29-14-22(26)24-15-7-12-19-18-5-3-4-6-20(18)23(27)25-21(19)13-15/h7-13,19H,2-6,14H2,1H3,(H,25,27)/b24-15+
InChIKeySVNNBENFKHRMBE-BUVRLJJBSA-N
MW392.46 g/mol
LogP3.50
Rot. Bonds5

About 2-(4-ethoxyphenoxy)-N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)acetamide

2-(4-ethoxyphenoxy)-N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)acetamide (PubChem CID 137260541) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-(4-ethoxyphenoxy)-N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenoxy)-N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)acetamide
PubChem CID137260541
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name2-(4-ethoxyphenoxy)-N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)acetamide
SMILESCCOc1ccc(OCC(=O)/N=C2\C=CC3C(=C2)NC(=O)C2=C3CCCC2)cc1
InChIInChI=1S/C23H24N2O4/c1-2-28-16-8-10-17(11-9-16)29-14-22(26)24-15-7-12-19-18-5-3-4-6-20(18)23(27)25-21(19)13-15/h7-13,19H,2-6,14H2,1H3,(H,25,27)/b24-15+
InChIKeySVNNBENFKHRMBE-BUVRLJJBSA-N
XLogP3.50
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-2-phenoxypropanamide
CID 137259224
2-(2-methoxyphenoxy)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide
CID 137259226
2-(4-methoxyphenoxy)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide
CID 137259228
2-(4-ethoxyphenoxy)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide
CID 137259229
2-(4-ethoxyphenyl)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide
CID 137259233
2-(4-ethoxyphenoxy)-N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide
CID 137259422
2-(4-ethoxyphenyl)-N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide
CID 137259424
N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-phenoxypropanamide
CID 137259570
N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-(2-methoxyphenoxy)acetamide
CID 137259572
N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-(4-methoxyphenoxy)acetamide
CID 137259574
N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-(4-ethoxyphenoxy)acetamide
CID 137259575
N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-(4-ethoxyphenyl)acetamide
CID 137259579

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenoxy)-N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)acetamide?
The IUPAC name of 2-(4-ethoxyphenoxy)-N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)acetamide (CID 137260541) is 2-(4-ethoxyphenoxy)-N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)acetamide.
What is the SMILES notation for 2-(4-ethoxyphenoxy)-N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)acetamide?
The canonical SMILES for 2-(4-ethoxyphenoxy)-N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)acetamide is CCOc1ccc(OCC(=O)/N=C2\C=CC3C(=C2)NC(=O)C2=C3CCCC2)cc1.
What is the InChIKey of 2-(4-ethoxyphenoxy)-N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)acetamide?
The InChIKey is SVNNBENFKHRMBE-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-2-28-16-8-10-17(11-9-16)29-14-22(26)24-15-7-12-19-18-5-3-4-6-20(18)23(27)25-21(19)13-15/h7-13,19H,2-6,14H2,1H3,(H,25,27)/b24-15+.
What are the key properties of 2-(4-ethoxyphenoxy)-N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)acetamide?
2-(4-ethoxyphenoxy)-N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)acetamide has a molecular weight of 392.46 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenoxy)-N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)acetamide is sourced from PubChem (CID 137260541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).