N-[(2,4-dimethylphenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide

C19H22N2O2 — CID 917769

IUPACN-[(2,4-dimethylphenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide
SMILESCCc1ccc(OCC(=O)NN=Cc2ccc(C)cc2C)cc1
InChIInChI=1S/C19H22N2O2/c1-4-16-6-9-18(10-7-16)23-13-19(22)21-20-12-17-8-5-14(2)11-15(17)3/h5-12H,4,13H2,1-3H3,(H,21,22)
InChIKeyBBHLDVRLXFLVIA-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.39
Rot. Bonds6

About N-[(2,4-dimethylphenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide

N-[(2,4-dimethylphenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide (PubChem CID 917769) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide
PubChem CID917769
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-[(2,4-dimethylphenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide
SMILESCCc1ccc(OCC(=O)NN=Cc2ccc(C)cc2C)cc1
InChIInChI=1S/C19H22N2O2/c1-4-16-6-9-18(10-7-16)23-13-19(22)21-20-12-17-8-5-14(2)11-15(17)3/h5-12H,4,13H2,1-3H3,(H,21,22)
InChIKeyBBHLDVRLXFLVIA-UHFFFAOYSA-N
XLogP3.39
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.39
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-(4-bromophenoxy)-N-[(2,4-dimethylphenyl)methylideneamino]acetamide
CID 5120980
N-[(2,4-dimethylphenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 917804
2-(4-ethylphenoxy)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 136661291
2-(4-methylphenoxy)-N-[(2-methylphenyl)methylideneamino]acetamide
CID 867406
N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(4-ethylphenoxy)acetamide
CID 5101110
N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 5414113
N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide
CID 136659890
2-(4-ethylphenoxy)-N-(pyridin-4-ylmethylideneamino)acetamide
CID 2695082
2-(4-chlorophenoxy)-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]acetamide
CID 135533084
N-(anthracen-9-ylmethylideneamino)-2-(4-ethylphenoxy)acetamide
CID 3363450
2-(4-methylphenoxy)-N-[(4-methylphenyl)methylideneamino]acetamide
CID 968437
2-(2,4-dimethylphenoxy)-N-[(2-hydroxy-4-methylphenyl)methylideneamino]acetamide
CID 780702

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide?
The IUPAC name of N-[(2,4-dimethylphenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide (CID 917769) is N-[(2,4-dimethylphenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide.
What is the SMILES notation for N-[(2,4-dimethylphenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide?
The canonical SMILES for N-[(2,4-dimethylphenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide is CCc1ccc(OCC(=O)NN=Cc2ccc(C)cc2C)cc1.
What is the InChIKey of N-[(2,4-dimethylphenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide?
The InChIKey is BBHLDVRLXFLVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-4-16-6-9-18(10-7-16)23-13-19(22)21-20-12-17-8-5-14(2)11-15(17)3/h5-12H,4,13H2,1-3H3,(H,21,22).
What are the key properties of N-[(2,4-dimethylphenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide?
N-[(2,4-dimethylphenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide has a molecular weight of 310.40 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide is sourced from PubChem (CID 917769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).