2-(3-methylphenoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide

C19H22N2O2 — CID 968480

IUPAC2-(3-methylphenoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide
SMILESCc1cccc(OCC(=O)NN=Cc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C19H22N2O2/c1-13-6-5-7-17(10-13)23-12-19(22)21-20-11-18-15(3)8-14(2)9-16(18)4/h5-11H,12H2,1-4H3,(H,21,22)
InChIKeyYXPUSJYLRBZNQM-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.45
Rot. Bonds5

About 2-(3-methylphenoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide

2-(3-methylphenoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide (PubChem CID 968480) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide
PubChem CID968480
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name2-(3-methylphenoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide
SMILESCc1cccc(OCC(=O)NN=Cc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C19H22N2O2/c1-13-6-5-7-17(10-13)23-12-19(22)21-20-11-18-15(3)8-14(2)9-16(18)4/h5-11H,12H2,1-4H3,(H,21,22)
InChIKeyYXPUSJYLRBZNQM-UHFFFAOYSA-N
XLogP3.45
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-phenoxy-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 5331243
2-(3-methylphenoxy)-N-[(1-methylpyrrol-2-yl)methylideneamino]acetamide
CID 947703
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-2-(3-methylphenoxy)acetamide
CID 135852675
N-[(Z)-(2,6-difluorophenyl)methylideneamino]-2-(3,5-dimethylphenoxy)acetamide
CID 9315633
N-[(4-ethoxyphenyl)methylideneamino]-2-(3-methylphenoxy)acetamide
CID 689841
N-(furan-3-ylmethylideneamino)-2-(3-methylphenoxy)acetamide
CID 4923111
N-[(Z)-(3-methylphenyl)methylideneamino]-2-phenoxyacetamide
CID 5418273
N-[(5-bromothiophen-2-yl)methylideneamino]-2-(3-methylphenoxy)acetamide
CID 1035045
N-[(E)-(4-cyanophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide
CID 6910962
N-[(4-cyanophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide
CID 833030
N-[(Z)-(2-ethyl-1-benzofuran-3-yl)methylideneamino]-2-(3-methylphenoxy)acetamide
CID 8826359
2-(3-methylphenoxy)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 4924430

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(3-methylphenoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide (CID 968480) is 2-(3-methylphenoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide is Cc1cccc(OCC(=O)NN=Cc2c(C)cc(C)cc2C)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide?
The InChIKey is YXPUSJYLRBZNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-13-6-5-7-17(10-13)23-12-19(22)21-20-11-18-15(3)8-14(2)9-16(18)4/h5-11H,12H2,1-4H3,(H,21,22).
What are the key properties of 2-(3-methylphenoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide?
2-(3-methylphenoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide has a molecular weight of 310.40 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide is sourced from PubChem (CID 968480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).