N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-2-(2-methylanilino)acetamide

C18H21N3O3 — CID 6277132

IUPACN-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-2-(2-methylanilino)acetamide
SMILESCOc1ccc(OC)c(/C=N\NC(=O)CNc2ccccc2C)c1
InChIInChI=1S/C18H21N3O3/c1-13-6-4-5-7-16(13)19-12-18(22)21-20-11-14-10-15(23-2)8-9-17(14)24-3/h4-11,19H,12H2,1-3H3,(H,21,22)/b20-11-
InChIKeyRVCBJOTTZWVMSL-JAIQZWGSSA-N
MW327.38 g/mol
LogP2.57
Rot. Bonds7

About N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-2-(2-methylanilino)acetamide

N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-2-(2-methylanilino)acetamide (PubChem CID 6277132) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-2-(2-methylanilino)acetamide.

Molecular Properties

Compound NameN-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-2-(2-methylanilino)acetamide
PubChem CID6277132
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-2-(2-methylanilino)acetamide
SMILESCOc1ccc(OC)c(/C=N\NC(=O)CNc2ccccc2C)c1
InChIInChI=1S/C18H21N3O3/c1-13-6-4-5-7-16(13)19-12-18(22)21-20-11-14-10-15(23-2)8-9-17(14)24-3/h4-11,19H,12H2,1-3H3,(H,21,22)/b20-11-
InChIKeyRVCBJOTTZWVMSL-JAIQZWGSSA-N
XLogP2.57
TPSA71.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-N-(2-methylphenyl)oxamide
CID 6876538
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-methylanilino)acetamide
CID 135541691
N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide
CID 3962833
2-(2-methylanilino)-N-[(2-methylphenyl)methylideneamino]acetamide
CID 870845
2-(2-methoxyanilino)-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
CID 6910807
N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-phenylpropanediamide
CID 3455100
2-(2,6-dimethylanilino)-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide
CID 7256123
2-(2-methoxyanilino)-N-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]acetamide
CID 6910859
2-(2-methoxyanilino)-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 6910847
2-(4-chloro-2-methylanilino)-N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide
CID 136662908
methyl N-[(2,5-dimethoxyphenyl)methylideneamino]carbamate
CID 5087461
N-[(2,4-dimethoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 871407

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-2-(2-methylanilino)acetamide?
The IUPAC name of N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-2-(2-methylanilino)acetamide (CID 6277132) is N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-2-(2-methylanilino)acetamide.
What is the SMILES notation for N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-2-(2-methylanilino)acetamide?
The canonical SMILES for N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-2-(2-methylanilino)acetamide is COc1ccc(OC)c(/C=N\NC(=O)CNc2ccccc2C)c1.
What is the InChIKey of N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-2-(2-methylanilino)acetamide?
The InChIKey is RVCBJOTTZWVMSL-JAIQZWGSSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-13-6-4-5-7-16(13)19-12-18(22)21-20-11-14-10-15(23-2)8-9-17(14)24-3/h4-11,19H,12H2,1-3H3,(H,21,22)/b20-11-.
What are the key properties of N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-2-(2-methylanilino)acetamide?
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-2-(2-methylanilino)acetamide has a molecular weight of 327.38 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-2-(2-methylanilino)acetamide is sourced from PubChem (CID 6277132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).