2-(2,4-dimethylanilino)-N-[(2-ethoxyphenyl)methylideneamino]acetamide

C19H23N3O2 — CID 968035

IUPAC2-(2,4-dimethylanilino)-N-[(2-ethoxyphenyl)methylideneamino]acetamide
SMILESCCOc1ccccc1C=NNC(=O)CNc1ccc(C)cc1C
InChIInChI=1S/C19H23N3O2/c1-4-24-18-8-6-5-7-16(18)12-21-22-19(23)13-20-17-10-9-14(2)11-15(17)3/h5-12,20H,4,13H2,1-3H3,(H,22,23)
InChIKeyNUBGWFHVJMTCAN-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.26
Rot. Bonds7

About 2-(2,4-dimethylanilino)-N-[(2-ethoxyphenyl)methylideneamino]acetamide

2-(2,4-dimethylanilino)-N-[(2-ethoxyphenyl)methylideneamino]acetamide (PubChem CID 968035) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-(2,4-dimethylanilino)-N-[(2-ethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylanilino)-N-[(2-ethoxyphenyl)methylideneamino]acetamide
PubChem CID968035
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2-(2,4-dimethylanilino)-N-[(2-ethoxyphenyl)methylideneamino]acetamide
SMILESCCOc1ccccc1C=NNC(=O)CNc1ccc(C)cc1C
InChIInChI=1S/C19H23N3O2/c1-4-24-18-8-6-5-7-16(18)12-21-22-19(23)13-20-17-10-9-14(2)11-15(17)3/h5-12,20H,4,13H2,1-3H3,(H,22,23)
InChIKeyNUBGWFHVJMTCAN-UHFFFAOYSA-N
XLogP3.26
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.26
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylanilino)-N-[(2-ethoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2,4-dimethylanilino)-N-[(2-ethoxyphenyl)methylideneamino]acetamide (CID 968035) is 2-(2,4-dimethylanilino)-N-[(2-ethoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2,4-dimethylanilino)-N-[(2-ethoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2,4-dimethylanilino)-N-[(2-ethoxyphenyl)methylideneamino]acetamide is CCOc1ccccc1C=NNC(=O)CNc1ccc(C)cc1C.
What is the InChIKey of 2-(2,4-dimethylanilino)-N-[(2-ethoxyphenyl)methylideneamino]acetamide?
The InChIKey is NUBGWFHVJMTCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-4-24-18-8-6-5-7-16(18)12-21-22-19(23)13-20-17-10-9-14(2)11-15(17)3/h5-12,20H,4,13H2,1-3H3,(H,22,23).
What are the key properties of 2-(2,4-dimethylanilino)-N-[(2-ethoxyphenyl)methylideneamino]acetamide?
2-(2,4-dimethylanilino)-N-[(2-ethoxyphenyl)methylideneamino]acetamide has a molecular weight of 325.41 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylanilino)-N-[(2-ethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 968035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).