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

C22H22N2O3 — CID 137260536

IUPACN-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)/N=C1\C=CC2C(=C1)NC(=O)C1=C2CCCC1
InChIInChI=1S/C22H22N2O3/c1-14(27-16-7-3-2-4-8-16)21(25)23-15-11-12-18-17-9-5-6-10-19(17)22(26)24-20(18)13-15/h2-4,7-8,11-14,18H,5-6,9-10H2,1H3,(H,24,26)/b23-15+
InChIKeyKHCUKEBWZCDPBA-HZHRSRAPSA-N
MW362.43 g/mol
LogP3.49
Rot. Bonds3

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

N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)-2-phenoxypropanamide (PubChem CID 137260536) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)-2-phenoxypropanamide.

Molecular Properties

Compound NameN-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)-2-phenoxypropanamide
PubChem CID137260536
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC NameN-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)/N=C1\C=CC2C(=C1)NC(=O)C1=C2CCCC1
InChIInChI=1S/C22H22N2O3/c1-14(27-16-7-3-2-4-8-16)21(25)23-15-11-12-18-17-9-5-6-10-19(17)22(26)24-20(18)13-15/h2-4,7-8,11-14,18H,5-6,9-10H2,1H3,(H,24,26)/b23-15+
InChIKeyKHCUKEBWZCDPBA-HZHRSRAPSA-N
XLogP3.49
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methoxyphenyl)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide
CID 137259231
2-(4-ethoxyphenyl)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide
CID 137259233
3-(4-methoxyphenyl)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide
CID 137259257
2-methyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 137259264
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

Frequently Asked Questions

What is the IUPAC name of N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)-2-phenoxypropanamide?
The IUPAC name of N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)-2-phenoxypropanamide (CID 137260536) is N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)-2-phenoxypropanamide.
What is the SMILES notation for N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)-2-phenoxypropanamide?
The canonical SMILES for N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)-2-phenoxypropanamide is CC(Oc1ccccc1)C(=O)/N=C1\C=CC2C(=C1)NC(=O)C1=C2CCCC1.
What is the InChIKey of N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)-2-phenoxypropanamide?
The InChIKey is KHCUKEBWZCDPBA-HZHRSRAPSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-14(27-16-7-3-2-4-8-16)21(25)23-15-11-12-18-17-9-5-6-10-19(17)22(26)24-20(18)13-15/h2-4,7-8,11-14,18H,5-6,9-10H2,1H3,(H,24,26)/b23-15+.
What are the key properties of N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)-2-phenoxypropanamide?
N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)-2-phenoxypropanamide has a molecular weight of 362.43 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-oxo-5,7,8,9,10,10b-hexahydrophenanthridin-3-ylidene)-2-phenoxypropanamide is sourced from PubChem (CID 137260536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).