2-(2,6-dimethylanilino)-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide

C18H21N3O2 — CID 7256123

IUPAC2-(2,6-dimethylanilino)-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccccc1/C=N/NC(=O)CNc1c(C)cccc1C
InChIInChI=1S/C18H21N3O2/c1-13-7-6-8-14(2)18(13)19-12-17(22)21-20-11-15-9-4-5-10-16(15)23-3/h4-11,19H,12H2,1-3H3,(H,21,22)/b20-11+
InChIKeyCMSJORFKXHNHDR-RGVLZGJSSA-N
MW311.38 g/mol
LogP2.87
Rot. Bonds6

About 2-(2,6-dimethylanilino)-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide

2-(2,6-dimethylanilino)-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide (PubChem CID 7256123) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-(2,6-dimethylanilino)-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,6-dimethylanilino)-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide
PubChem CID7256123
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name2-(2,6-dimethylanilino)-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccccc1/C=N/NC(=O)CNc1c(C)cccc1C
InChIInChI=1S/C18H21N3O2/c1-13-7-6-8-14(2)18(13)19-12-17(22)21-20-11-15-9-4-5-10-16(15)23-3/h4-11,19H,12H2,1-3H3,(H,21,22)/b20-11+
InChIKeyCMSJORFKXHNHDR-RGVLZGJSSA-N
XLogP2.87
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.87
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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Related Compounds

N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-methylanilino)acetamide
CID 135541691
2-(2,6-dimethylphenoxy)-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide
CID 5420735
N'-[(2-methoxyphenyl)methylideneamino]-N-(2-methylphenyl)butanediamide
CID 4023878
1-(2-methoxy-6-methylphenyl)-3-[(2-methoxyphenyl)methylideneamino]thiourea
CID 123792711
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-2-(2-methylanilino)acetamide
CID 6277132
2-(2,6-dimethylanilino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 3726528
N-[(Z)-(2-fluorophenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
CID 5404184
[2-[(2Z)-2-[(2-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium chloride
CID 54609722
2-cyano-N-[(2-methoxyphenyl)methylideneamino]acetamide
CID 739635
N-[(2,3-dimethoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 4661365
2-(2,4-dimethylanilino)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136899302
2-anilino-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide
CID 7638625

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylanilino)-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2,6-dimethylanilino)-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide (CID 7256123) is 2-(2,6-dimethylanilino)-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2,6-dimethylanilino)-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2,6-dimethylanilino)-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide is COc1ccccc1/C=N/NC(=O)CNc1c(C)cccc1C.
What is the InChIKey of 2-(2,6-dimethylanilino)-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide?
The InChIKey is CMSJORFKXHNHDR-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13-7-6-8-14(2)18(13)19-12-17(22)21-20-11-15-9-4-5-10-16(15)23-3/h4-11,19H,12H2,1-3H3,(H,21,22)/b20-11+.
What are the key properties of 2-(2,6-dimethylanilino)-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide?
2-(2,6-dimethylanilino)-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide has a molecular weight of 311.38 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylanilino)-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 7256123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).