2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(4-phenylcyclohexylidene)amino]acetamide

C24H24N2O4 — CID 9412292

IUPAC2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(4-phenylcyclohexylidene)amino]acetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)NN=C3CCC(c4ccccc4)CC3)ccc12
InChIInChI=1S/C24H24N2O4/c1-16-13-24(28)30-22-14-20(11-12-21(16)22)29-15-23(27)26-25-19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-6,11-14,18H,7-10,15H2,1H3,(H,26,27)/b25-19-
InChIKeyHIDJQZKXENNGFC-PLRJNAJWSA-N
MW404.47 g/mol
LogP4.31
Rot. Bonds5

About 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(4-phenylcyclohexylidene)amino]acetamide

2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(4-phenylcyclohexylidene)amino]acetamide (PubChem CID 9412292) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(4-phenylcyclohexylidene)amino]acetamide.

Molecular Properties

Compound Name2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(4-phenylcyclohexylidene)amino]acetamide
PubChem CID9412292
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Name2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(4-phenylcyclohexylidene)amino]acetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)NN=C3CCC(c4ccccc4)CC3)ccc12
InChIInChI=1S/C24H24N2O4/c1-16-13-24(28)30-22-14-20(11-12-21(16)22)29-15-23(27)26-25-19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-6,11-14,18H,7-10,15H2,1H3,(H,26,27)/b25-19-
InChIKeyHIDJQZKXENNGFC-PLRJNAJWSA-N
XLogP4.31
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]hydrazinylidene]piperidine-1-carboxylate
CID 9412266
N-cyclopropyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 2571495
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7919810
N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 9412326
N-(2-fluorophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 863920
2-(4-methyl-2-oxochromen-7-yl)oxy-N-(oxan-4-yl)acetamide
CID 60533521
N-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 16524830
N'-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]-2-(4-methylphenoxy)acetohydrazide
CID 19166677
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide
CID 9412255
2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-2-phenylacetic acid
CID 3782124
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
CID 97489059
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 9412162

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(4-phenylcyclohexylidene)amino]acetamide?
The IUPAC name of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(4-phenylcyclohexylidene)amino]acetamide (CID 9412292) is 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(4-phenylcyclohexylidene)amino]acetamide.
What is the SMILES notation for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(4-phenylcyclohexylidene)amino]acetamide?
The canonical SMILES for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(4-phenylcyclohexylidene)amino]acetamide is Cc1cc(=O)oc2cc(OCC(=O)NN=C3CCC(c4ccccc4)CC3)ccc12.
What is the InChIKey of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(4-phenylcyclohexylidene)amino]acetamide?
The InChIKey is HIDJQZKXENNGFC-PLRJNAJWSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-16-13-24(28)30-22-14-20(11-12-21(16)22)29-15-23(27)26-25-19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-6,11-14,18H,7-10,15H2,1H3,(H,26,27)/b25-19-.
What are the key properties of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(4-phenylcyclohexylidene)amino]acetamide?
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(4-phenylcyclohexylidene)amino]acetamide has a molecular weight of 404.47 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(4-phenylcyclohexylidene)amino]acetamide is sourced from PubChem (CID 9412292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).