4-(4-methyl-2-oxochromen-7-yl)oxy-N-[(4-methylphenyl)methylideneamino]butanamide

C22H22N2O4 — CID 134812991

IUPAC4-(4-methyl-2-oxochromen-7-yl)oxy-N-[(4-methylphenyl)methylideneamino]butanamide
SMILESCc1ccc(C=NNC(=O)CCCOc2ccc3c(C)cc(=O)oc3c2)cc1
InChIInChI=1S/C22H22N2O4/c1-15-5-7-17(8-6-15)14-23-24-21(25)4-3-11-27-18-9-10-19-16(2)12-22(26)28-20(19)13-18/h5-10,12-14H,3-4,11H2,1-2H3,(H,24,25)
InChIKeyLXRITOIEUYUSSJ-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.72
Rot. Bonds7

About 4-(4-methyl-2-oxochromen-7-yl)oxy-N-[(4-methylphenyl)methylideneamino]butanamide

4-(4-methyl-2-oxochromen-7-yl)oxy-N-[(4-methylphenyl)methylideneamino]butanamide (PubChem CID 134812991) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is 4-(4-methyl-2-oxochromen-7-yl)oxy-N-[(4-methylphenyl)methylideneamino]butanamide.

Molecular Properties

Compound Name4-(4-methyl-2-oxochromen-7-yl)oxy-N-[(4-methylphenyl)methylideneamino]butanamide
PubChem CID134812991
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name4-(4-methyl-2-oxochromen-7-yl)oxy-N-[(4-methylphenyl)methylideneamino]butanamide
SMILESCc1ccc(C=NNC(=O)CCCOc2ccc3c(C)cc(=O)oc3c2)cc1
InChIInChI=1S/C22H22N2O4/c1-15-5-7-17(8-6-15)14-23-24-21(25)4-3-11-27-18-9-10-19-16(2)12-22(26)28-20(19)13-18/h5-10,12-14H,3-4,11H2,1-2H3,(H,24,25)
InChIKeyLXRITOIEUYUSSJ-UHFFFAOYSA-N
XLogP3.72
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-tert-butylphenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 9412335
N-[(Z)-(4-acetamidophenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 9412099
N'-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]-2-(4-methylphenoxy)acetohydrazide
CID 19166677
3-(4-methyl-2-oxochromen-7-yl)oxypropyl prop-2-enoate
CID 166523791
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
2-(3,4-dimethylphenoxy)-N-[(4-methylphenyl)methylideneamino]acetamide
CID 71950738
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(Z)-quinoxalin-2-ylmethylideneamino]acetamide
CID 9218208
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetohydrazide
CID 7943426
N-[(Z)-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 9412039
4-(4-methoxy-2-methylphenyl)-N-[(Z)-(4-methylphenyl)methylideneamino]butanamide
CID 5394009

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-2-oxochromen-7-yl)oxy-N-[(4-methylphenyl)methylideneamino]butanamide?
The IUPAC name of 4-(4-methyl-2-oxochromen-7-yl)oxy-N-[(4-methylphenyl)methylideneamino]butanamide (CID 134812991) is 4-(4-methyl-2-oxochromen-7-yl)oxy-N-[(4-methylphenyl)methylideneamino]butanamide.
What is the SMILES notation for 4-(4-methyl-2-oxochromen-7-yl)oxy-N-[(4-methylphenyl)methylideneamino]butanamide?
The canonical SMILES for 4-(4-methyl-2-oxochromen-7-yl)oxy-N-[(4-methylphenyl)methylideneamino]butanamide is Cc1ccc(C=NNC(=O)CCCOc2ccc3c(C)cc(=O)oc3c2)cc1.
What is the InChIKey of 4-(4-methyl-2-oxochromen-7-yl)oxy-N-[(4-methylphenyl)methylideneamino]butanamide?
The InChIKey is LXRITOIEUYUSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-15-5-7-17(8-6-15)14-23-24-21(25)4-3-11-27-18-9-10-19-16(2)12-22(26)28-20(19)13-18/h5-10,12-14H,3-4,11H2,1-2H3,(H,24,25).
What are the key properties of 4-(4-methyl-2-oxochromen-7-yl)oxy-N-[(4-methylphenyl)methylideneamino]butanamide?
4-(4-methyl-2-oxochromen-7-yl)oxy-N-[(4-methylphenyl)methylideneamino]butanamide has a molecular weight of 378.43 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-2-oxochromen-7-yl)oxy-N-[(4-methylphenyl)methylideneamino]butanamide is sourced from PubChem (CID 134812991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).