2-(3-methylphenoxy)-N-[1-(4-methylphenyl)ethylideneamino]acetamide

C18H20N2O2 — CID 968545

IUPAC2-(3-methylphenoxy)-N-[1-(4-methylphenyl)ethylideneamino]acetamide
SMILESCC(=NNC(=O)COc1cccc(C)c1)c1ccc(C)cc1
InChIInChI=1S/C18H20N2O2/c1-13-7-9-16(10-8-13)15(3)19-20-18(21)12-22-17-6-4-5-14(2)11-17/h4-11H,12H2,1-3H3,(H,20,21)
InChIKeySSYRSBFXCLGSIT-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.22
Rot. Bonds5

About 2-(3-methylphenoxy)-N-[1-(4-methylphenyl)ethylideneamino]acetamide

2-(3-methylphenoxy)-N-[1-(4-methylphenyl)ethylideneamino]acetamide (PubChem CID 968545) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-[1-(4-methylphenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-[1-(4-methylphenyl)ethylideneamino]acetamide
PubChem CID968545
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name2-(3-methylphenoxy)-N-[1-(4-methylphenyl)ethylideneamino]acetamide
SMILESCC(=NNC(=O)COc1cccc(C)c1)c1ccc(C)cc1
InChIInChI=1S/C18H20N2O2/c1-13-7-9-16(10-8-13)15(3)19-20-18(21)12-22-17-6-4-5-14(2)11-17/h4-11H,12H2,1-3H3,(H,20,21)
InChIKeySSYRSBFXCLGSIT-UHFFFAOYSA-N
XLogP3.22
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.22
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

N-[1-(4-hydroxyphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide
CID 969299
N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide
CID 6938758
2-(3-methylphenoxy)-N-[(Z)-1-(4-propoxyphenyl)ethylideneamino]acetamide
CID 7934604
N-[(E)-1-(3-methylphenyl)ethylideneamino]-2-phenoxyacetamide
CID 19685184
N-[1-(1,3-benzodioxol-5-yl)ethylideneamino]-2-(3-methylphenoxy)acetamide
CID 4657371
N-[(Z)-1-(2-methoxyphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide
CID 7985057
2-(3-methylphenoxy)-N-[(Z)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]acetamide
CID 8979018
2-(3-chlorophenoxy)-N-[(E)-1-(4-chlorophenyl)ethylideneamino]acetamide
CID 6920998
2-(3-chlorophenoxy)-N-[1-(4-chlorophenyl)ethylideneamino]acetamide
CID 683722
2-(3-bromophenoxy)-N-[1-(4-bromophenyl)ethylideneamino]acetamide
CID 1124773
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(4-methylphenoxy)acetamide
CID 5398012
N-[(E)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide
CID 5448416

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-[1-(4-methylphenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(3-methylphenoxy)-N-[1-(4-methylphenyl)ethylideneamino]acetamide (CID 968545) is 2-(3-methylphenoxy)-N-[1-(4-methylphenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-[1-(4-methylphenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-[1-(4-methylphenyl)ethylideneamino]acetamide is CC(=NNC(=O)COc1cccc(C)c1)c1ccc(C)cc1.
What is the InChIKey of 2-(3-methylphenoxy)-N-[1-(4-methylphenyl)ethylideneamino]acetamide?
The InChIKey is SSYRSBFXCLGSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-13-7-9-16(10-8-13)15(3)19-20-18(21)12-22-17-6-4-5-14(2)11-17/h4-11H,12H2,1-3H3,(H,20,21).
What are the key properties of 2-(3-methylphenoxy)-N-[1-(4-methylphenyl)ethylideneamino]acetamide?
2-(3-methylphenoxy)-N-[1-(4-methylphenyl)ethylideneamino]acetamide has a molecular weight of 296.37 g/mol, XLogP of 3.22, 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-[1-(4-methylphenyl)ethylideneamino]acetamide is sourced from PubChem (CID 968545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).