2-(2,4-dimethylphenyl)-N-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]acetamide

C20H20N2O2 — CID 92657814

IUPAC2-(2,4-dimethylphenyl)-N-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]acetamide
SMILESC#CCOc1ccccc1/C=N\NC(=O)Cc1ccc(C)cc1C
InChIInChI=1S/C20H20N2O2/c1-4-11-24-19-8-6-5-7-18(19)14-21-22-20(23)13-17-10-9-15(2)12-16(17)3/h1,5-10,12,14H,11,13H2,2-3H3,(H,22,23)/b21-14-
InChIKeyPPOIUAONCYKZTG-STZFKDTASA-N
MW320.39 g/mol
LogP3.01
Rot. Bonds6

About 2-(2,4-dimethylphenyl)-N-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]acetamide

2-(2,4-dimethylphenyl)-N-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]acetamide (PubChem CID 92657814) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-N-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-N-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]acetamide
PubChem CID92657814
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name2-(2,4-dimethylphenyl)-N-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]acetamide
SMILESC#CCOc1ccccc1/C=N\NC(=O)Cc1ccc(C)cc1C
InChIInChI=1S/C20H20N2O2/c1-4-11-24-19-8-6-5-7-18(19)14-21-22-20(23)13-17-10-9-15(2)12-16(17)3/h1,5-10,12,14H,11,13H2,2-3H3,(H,22,23)/b21-14-
InChIKeyPPOIUAONCYKZTG-STZFKDTASA-N
XLogP3.01
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.01
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dimethylphenyl)-N-[(E)-[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 133143940
N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 99944528
2-(2,4-dimethylphenyl)-N-[(E)-[2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 99944529
N-[(E)-benzylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133143773
N-[(E)-(2,4-diethoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 99944801
tert-butyl N-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]carbamate
CID 9074646
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 99944791
N-[(E)-(5-bromo-2-ethoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133143803
2-(2-prop-2-enylphenoxy)-N-[(2-prop-2-ynoxyphenyl)methylideneamino]acetamide
CID 5188168
N-[(E)-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 99944538
2-(2,4-dimethylphenoxy)-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide
CID 6891509
2-(2,4-dimethylanilino)-N-[(Z)-(2-ethoxyphenyl)methylideneamino]acetamide
CID 5427807

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-N-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2,4-dimethylphenyl)-N-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]acetamide (CID 92657814) is 2-(2,4-dimethylphenyl)-N-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-N-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)-N-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]acetamide is C#CCOc1ccccc1/C=N\NC(=O)Cc1ccc(C)cc1C.
What is the InChIKey of 2-(2,4-dimethylphenyl)-N-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]acetamide?
The InChIKey is PPOIUAONCYKZTG-STZFKDTASA-N. The full InChI is InChI=1S/C20H20N2O2/c1-4-11-24-19-8-6-5-7-18(19)14-21-22-20(23)13-17-10-9-15(2)12-16(17)3/h1,5-10,12,14H,11,13H2,2-3H3,(H,22,23)/b21-14-.
What are the key properties of 2-(2,4-dimethylphenyl)-N-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]acetamide?
2-(2,4-dimethylphenyl)-N-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]acetamide has a molecular weight of 320.39 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-N-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 92657814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).