2-(2,5-dimethylphenoxy)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide

C19H22N2O3 — CID 921075

IUPAC2-(2,5-dimethylphenoxy)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide
SMILESCOc1ccc(C(C)=NNC(=O)COc2cc(C)ccc2C)cc1
InChIInChI=1S/C19H22N2O3/c1-13-5-6-14(2)18(11-13)24-12-19(22)21-20-15(3)16-7-9-17(23-4)10-8-16/h5-11H,12H2,1-4H3,(H,21,22)
InChIKeyVRZPQVMRPLAZKD-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.23
Rot. Bonds6

About 2-(2,5-dimethylphenoxy)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide

2-(2,5-dimethylphenoxy)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide (PubChem CID 921075) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide
PubChem CID921075
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name2-(2,5-dimethylphenoxy)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide
SMILESCOc1ccc(C(C)=NNC(=O)COc2cc(C)ccc2C)cc1
InChIInChI=1S/C19H22N2O3/c1-13-5-6-14(2)18(11-13)24-12-19(22)21-20-15(3)16-7-9-17(23-4)10-8-16/h5-11H,12H2,1-4H3,(H,21,22)
InChIKeyVRZPQVMRPLAZKD-UHFFFAOYSA-N
XLogP3.23
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.23
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

N-[1-(4-methoxyphenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 3251911
2-(2,5-dimethylphenoxy)-N-(1-phenylethylideneamino)acetamide
CID 958391
2-(2-bromo-4-methylphenoxy)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 6123669
2-(2,5-dimethylphenoxy)-N-[1-(3,4,5-trimethoxyphenyl)ethylideneamino]acetamide
CID 5015848
2-(2,5-dimethylphenoxy)-N-[(E)-1-(3,4,5-trimethoxyphenyl)ethylideneamino]acetamide
CID 55353088
2-(2,4-dichlorophenoxy)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 6015085
2-(2,4-dichlorophenoxy)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 4121523
2-(2,4-dimethylphenoxy)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]acetamide
CID 92847264
2-(2-bromo-4-methoxyphenoxy)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide
CID 135849100
N-[1-(4-hydroxyphenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 914096
2-(2,5-dimethylphenoxy)-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 3303808
N-[1-(3,4-dimethylphenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 3986892

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(2,5-dimethylphenoxy)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide (CID 921075) is 2-(2,5-dimethylphenoxy)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide is COc1ccc(C(C)=NNC(=O)COc2cc(C)ccc2C)cc1.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide?
The InChIKey is VRZPQVMRPLAZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-13-5-6-14(2)18(11-13)24-12-19(22)21-20-15(3)16-7-9-17(23-4)10-8-16/h5-11H,12H2,1-4H3,(H,21,22).
What are the key properties of 2-(2,5-dimethylphenoxy)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide?
2-(2,5-dimethylphenoxy)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide has a molecular weight of 326.40 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide is sourced from PubChem (CID 921075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).