N-(3-methylphenyl)-2-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxyacetamide

C19H22N2O3 — CID 78767132

IUPACN-(3-methylphenyl)-2-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxyacetamide
SMILESCc1cccc(NC(=O)CO/N=C/c2ccccc2OC(C)C)c1
InChIInChI=1S/C19H22N2O3/c1-14(2)24-18-10-5-4-8-16(18)12-20-23-13-19(22)21-17-9-6-7-15(3)11-17/h4-12,14H,13H2,1-3H3,(H,21,22)/b20-12+
InChIKeyCXRLTUJIGFZYFN-UDWIEESQSA-N
MW326.40 g/mol
LogP3.77
Rot. Bonds7

About N-(3-methylphenyl)-2-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxyacetamide

N-(3-methylphenyl)-2-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxyacetamide (PubChem CID 78767132) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxyacetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxyacetamide
PubChem CID78767132
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-(3-methylphenyl)-2-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxyacetamide
SMILESCc1cccc(NC(=O)CO/N=C/c2ccccc2OC(C)C)c1
InChIInChI=1S/C19H22N2O3/c1-14(2)24-18-10-5-4-8-16(18)12-20-23-13-19(22)21-17-9-6-7-15(3)11-17/h4-12,14H,13H2,1-3H3,(H,21,22)/b20-12+
InChIKeyCXRLTUJIGFZYFN-UDWIEESQSA-N
XLogP3.77
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3-methylphenyl)acetamide
CID 7644292
N-(3-methylsulfanylphenyl)-2-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxyacetamide
CID 78767160
2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxy-N-(3-methylphenyl)acetamide
CID 7701194
N-propan-2-yl-2-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxyacetamide
CID 78766744
N-(3-chlorophenyl)-2-[(Z)-(2-methoxyphenyl)methylideneamino]oxyacetamide
CID 7664020
N-(3-bromophenyl)-2-[(Z)-(2-methylphenyl)methylideneamino]oxyacetamide
CID 7670074
2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3-methylsulfonylphenyl)acetamide
CID 9353732
N-(3-acetylphenyl)-2-[(E)-(2-ethoxyphenyl)methylideneamino]oxyacetamide
CID 16545197
2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(3,4-dimethoxyphenyl)acetamide
CID 7644378
2-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(2,4-dimethylphenyl)acetamide
CID 7644362
N-(3-ethylphenyl)-2-[(Z)-(2-methylphenyl)methylideneamino]oxyacetamide
CID 7670270
2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-(3-methoxyphenyl)acetamide
CID 7703124

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxyacetamide?
The IUPAC name of N-(3-methylphenyl)-2-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxyacetamide (CID 78767132) is N-(3-methylphenyl)-2-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxyacetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxyacetamide?
The canonical SMILES for N-(3-methylphenyl)-2-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxyacetamide is Cc1cccc(NC(=O)CO/N=C/c2ccccc2OC(C)C)c1.
What is the InChIKey of N-(3-methylphenyl)-2-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxyacetamide?
The InChIKey is CXRLTUJIGFZYFN-UDWIEESQSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-14(2)24-18-10-5-4-8-16(18)12-20-23-13-19(22)21-17-9-6-7-15(3)11-17/h4-12,14H,13H2,1-3H3,(H,21,22)/b20-12+.
What are the key properties of N-(3-methylphenyl)-2-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxyacetamide?
N-(3-methylphenyl)-2-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxyacetamide has a molecular weight of 326.40 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxyacetamide is sourced from PubChem (CID 78767132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).