N-[(Z)-(4-tert-butylphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide

C23H24N2O4 — CID 9412335

IUPACN-[(Z)-(4-tert-butylphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)N/N=C\c3ccc(C(C)(C)C)cc3)ccc12
InChIInChI=1S/C23H24N2O4/c1-15-11-22(27)29-20-12-18(9-10-19(15)20)28-14-21(26)25-24-13-16-5-7-17(8-6-16)23(2,3)4/h5-13H,14H2,1-4H3,(H,25,26)/b24-13-
InChIKeyIHSIXHALJNXJBQ-CFRMEGHHSA-N
MW392.46 g/mol
LogP3.93
Rot. Bonds5

About N-[(Z)-(4-tert-butylphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide

N-[(Z)-(4-tert-butylphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (PubChem CID 9412335) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[(Z)-(4-tert-butylphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(Z)-(4-tert-butylphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
PubChem CID9412335
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC NameN-[(Z)-(4-tert-butylphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)N/N=C\c3ccc(C(C)(C)C)cc3)ccc12
InChIInChI=1S/C23H24N2O4/c1-15-11-22(27)29-20-12-18(9-10-19(15)20)28-14-21(26)25-24-13-16-5-7-17(8-6-16)23(2,3)4/h5-13H,14H2,1-4H3,(H,25,26)/b24-13-
InChIKeyIHSIXHALJNXJBQ-CFRMEGHHSA-N
XLogP3.93
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.93
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

2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide
CID 9412255
N-[(Z)-(4-acetamidophenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 9412099
4-(4-methyl-2-oxochromen-7-yl)oxy-N-[(4-methylphenyl)methylideneamino]butanamide
CID 134812991
2-(4-tert-butylphenoxy)-N-[(E)-(4-tert-butylphenyl)methylideneamino]acetamide
CID 19173269
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(Z)-quinoxalin-2-ylmethylideneamino]acetamide
CID 9218208
[2-(4-tert-butylanilino)-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7844259
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 6862540
N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 135716895
N-(2,2-diphenylpropyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 27448091
N-(2-tert-butylphenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 40597491
N-[(Z)-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 9412039
N'-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]-2-(4-methylphenoxy)acetohydrazide
CID 19166677

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-tert-butylphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-[(Z)-(4-tert-butylphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (CID 9412335) is N-[(Z)-(4-tert-butylphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-[(Z)-(4-tert-butylphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-[(Z)-(4-tert-butylphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is Cc1cc(=O)oc2cc(OCC(=O)N/N=C\c3ccc(C(C)(C)C)cc3)ccc12.
What is the InChIKey of N-[(Z)-(4-tert-butylphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The InChIKey is IHSIXHALJNXJBQ-CFRMEGHHSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-15-11-22(27)29-20-12-18(9-10-19(15)20)28-14-21(26)25-24-13-16-5-7-17(8-6-16)23(2,3)4/h5-13H,14H2,1-4H3,(H,25,26)/b24-13-.
What are the key properties of N-[(Z)-(4-tert-butylphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
N-[(Z)-(4-tert-butylphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide has a molecular weight of 392.46 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-tert-butylphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 9412335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).