2-(3,4-dimethylphenoxy)-N-(1-phenylethylideneamino)acetamide

C18H20N2O2 — CID 71950740

IUPAC2-(3,4-dimethylphenoxy)-N-(1-phenylethylideneamino)acetamide
SMILESCC(=NNC(=O)COc1ccc(C)c(C)c1)c1ccccc1
InChIInChI=1S/C18H20N2O2/c1-13-9-10-17(11-14(13)2)22-12-18(21)20-19-15(3)16-7-5-4-6-8-16/h4-11H,12H2,1-3H3,(H,20,21)
InChIKeyRNFVBACNBZYWRG-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.22
Rot. Bonds5

About 2-(3,4-dimethylphenoxy)-N-(1-phenylethylideneamino)acetamide

2-(3,4-dimethylphenoxy)-N-(1-phenylethylideneamino)acetamide (PubChem CID 71950740) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-(1-phenylethylideneamino)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-(1-phenylethylideneamino)acetamide
PubChem CID71950740
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name2-(3,4-dimethylphenoxy)-N-(1-phenylethylideneamino)acetamide
SMILESCC(=NNC(=O)COc1ccc(C)c(C)c1)c1ccccc1
InChIInChI=1S/C18H20N2O2/c1-13-9-10-17(11-14(13)2)22-12-18(21)20-19-15(3)16-7-5-4-6-8-16/h4-11H,12H2,1-3H3,(H,20,21)
InChIKeyRNFVBACNBZYWRG-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-(3,4-dimethylphenyl)ethylideneamino]-2-naphthalen-2-yloxyacetamide
CID 4609255
2-phenoxy-N-(1-phenylethylideneamino)acetamide
CID 3448907
2-(4-iodophenoxy)-N-[(Z)-1-phenylethylideneamino]acetamide
CID 171980951
2-(2,5-dimethylphenoxy)-N-(1-phenylethylideneamino)acetamide
CID 958391
2-(4-ethylphenoxy)-N-(1-phenylethylideneamino)acetamide
CID 905266
N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]-2-(3-fluorophenoxy)acetamide
CID 9241816
N-[(E)-1-(3-methylphenyl)ethylideneamino]-2-phenoxyacetamide
CID 19685184
N-(1,3-dichloropropan-2-ylideneamino)-2-(3,4-dimethylphenoxy)acetamide
CID 46741808
N-[1-(4-methoxyphenyl)ethylideneamino]-2-naphthalen-2-yloxyacetamide
CID 4109084
N-[(Z)-1-phenylethylideneamino]-2-(4-propylphenoxy)acetamide
CID 6008008
N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 135569434
N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 9316157

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-(1-phenylethylideneamino)acetamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-(1-phenylethylideneamino)acetamide (CID 71950740) is 2-(3,4-dimethylphenoxy)-N-(1-phenylethylideneamino)acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-(1-phenylethylideneamino)acetamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-(1-phenylethylideneamino)acetamide is CC(=NNC(=O)COc1ccc(C)c(C)c1)c1ccccc1.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-(1-phenylethylideneamino)acetamide?
The InChIKey is RNFVBACNBZYWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-13-9-10-17(11-14(13)2)22-12-18(21)20-19-15(3)16-7-5-4-6-8-16/h4-11H,12H2,1-3H3,(H,20,21).
What are the key properties of 2-(3,4-dimethylphenoxy)-N-(1-phenylethylideneamino)acetamide?
2-(3,4-dimethylphenoxy)-N-(1-phenylethylideneamino)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-(3,4-dimethylphenoxy)-N-(1-phenylethylideneamino)acetamide is sourced from PubChem (CID 71950740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).