N-[(E)-(2-hydroxy-4-propan-2-yloxyphenyl)methylideneamino]-2,4-dimethoxybenzamide

C19H22N2O5 — CID 135613710

IUPACN-[(E)-(2-hydroxy-4-propan-2-yloxyphenyl)methylideneamino]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C/c2ccc(OC(C)C)cc2O)c(OC)c1
InChIInChI=1S/C19H22N2O5/c1-12(2)26-15-6-5-13(17(22)9-15)11-20-21-19(23)16-8-7-14(24-3)10-18(16)25-4/h5-12,22H,1-4H3,(H,21,23)/b20-11+
InChIKeyFMTGXCDFYMEDAZ-RGVLZGJSSA-N
MW358.39 g/mol
LogP2.96
Rot. Bonds7

About N-[(E)-(2-hydroxy-4-propan-2-yloxyphenyl)methylideneamino]-2,4-dimethoxybenzamide

N-[(E)-(2-hydroxy-4-propan-2-yloxyphenyl)methylideneamino]-2,4-dimethoxybenzamide (PubChem CID 135613710) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-4-propan-2-yloxyphenyl)methylideneamino]-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-4-propan-2-yloxyphenyl)methylideneamino]-2,4-dimethoxybenzamide
PubChem CID135613710
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC NameN-[(E)-(2-hydroxy-4-propan-2-yloxyphenyl)methylideneamino]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C/c2ccc(OC(C)C)cc2O)c(OC)c1
InChIInChI=1S/C19H22N2O5/c1-12(2)26-15-6-5-13(17(22)9-15)11-20-21-19(23)16-8-7-14(24-3)10-18(16)25-4/h5-12,22H,1-4H3,(H,21,23)/b20-11+
InChIKeyFMTGXCDFYMEDAZ-RGVLZGJSSA-N
XLogP2.96
TPSA89.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

N-[(2-hydroxy-4-propan-2-yloxyphenyl)methylideneamino]-2,4-dimethoxybenzamide
CID 3913272
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2,4-dimethoxybenzamide
CID 6113425
2-hydroxy-N-[(Z)-(2-hydroxy-4-methoxyphenyl)methylideneamino]benzamide
CID 135883025
2-hydroxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 137156038
4-fluoro-N-[(Z)-(2-hydroxy-4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 137150543
N-[(Z)-(2-hydroxy-4-propan-2-yloxyphenyl)methylideneamino]-4-iodobenzamide
CID 137075500
5-bromo-N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-propan-2-yloxybenzamide
CID 136843572
5-bromo-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-propan-2-yloxybenzamide
CID 135957632
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 136720676
N-[(2,4-dimethoxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 3422870
N-[(2,5-dimethoxyphenyl)methylideneamino]-2-methoxy-4-methylbenzamide
CID 4304772
N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-hydroxy-4-methoxybenzamide
CID 126395056

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-4-propan-2-yloxyphenyl)methylideneamino]-2,4-dimethoxybenzamide?
The IUPAC name of N-[(E)-(2-hydroxy-4-propan-2-yloxyphenyl)methylideneamino]-2,4-dimethoxybenzamide (CID 135613710) is N-[(E)-(2-hydroxy-4-propan-2-yloxyphenyl)methylideneamino]-2,4-dimethoxybenzamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-4-propan-2-yloxyphenyl)methylideneamino]-2,4-dimethoxybenzamide?
The canonical SMILES for N-[(E)-(2-hydroxy-4-propan-2-yloxyphenyl)methylideneamino]-2,4-dimethoxybenzamide is COc1ccc(C(=O)N/N=C/c2ccc(OC(C)C)cc2O)c(OC)c1.
What is the InChIKey of N-[(E)-(2-hydroxy-4-propan-2-yloxyphenyl)methylideneamino]-2,4-dimethoxybenzamide?
The InChIKey is FMTGXCDFYMEDAZ-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-12(2)26-15-6-5-13(17(22)9-15)11-20-21-19(23)16-8-7-14(24-3)10-18(16)25-4/h5-12,22H,1-4H3,(H,21,23)/b20-11+.
What are the key properties of N-[(E)-(2-hydroxy-4-propan-2-yloxyphenyl)methylideneamino]-2,4-dimethoxybenzamide?
N-[(E)-(2-hydroxy-4-propan-2-yloxyphenyl)methylideneamino]-2,4-dimethoxybenzamide has a molecular weight of 358.39 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-4-propan-2-yloxyphenyl)methylideneamino]-2,4-dimethoxybenzamide is sourced from PubChem (CID 135613710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).