N-[(2,4-dimethoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide

C18H21N3O3 — CID 871407

IUPACN-[(2,4-dimethoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide
SMILESCOc1ccc(C=NNC(=O)CNc2ccc(C)cc2)c(OC)c1
InChIInChI=1S/C18H21N3O3/c1-13-4-7-15(8-5-13)19-12-18(22)21-20-11-14-6-9-16(23-2)10-17(14)24-3/h4-11,19H,12H2,1-3H3,(H,21,22)
InChIKeyPUFBHGZBWGVLNK-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.57
Rot. Bonds7

About N-[(2,4-dimethoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide

N-[(2,4-dimethoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide (PubChem CID 871407) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide
PubChem CID871407
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-[(2,4-dimethoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide
SMILESCOc1ccc(C=NNC(=O)CNc2ccc(C)cc2)c(OC)c1
InChIInChI=1S/C18H21N3O3/c1-13-4-7-15(8-5-13)19-12-18(22)21-20-11-14-6-9-16(23-2)10-17(14)24-3/h4-11,19H,12H2,1-3H3,(H,21,22)
InChIKeyPUFBHGZBWGVLNK-UHFFFAOYSA-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-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 4086824
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 99944791
N-[(3-methoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 689442
N'-[(2,4-dimethoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 3959859
N-[(Z)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 135541715
2-(4-methoxyanilino)-N-[(4-methoxynaphthalen-1-yl)methylideneamino]acetamide
CID 4628921
N-[(2,4-dihydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)acetamide
CID 767055
N-[(2,4-dimethoxyphenyl)methylideneamino]-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide
CID 3301873
2-(4-bromoanilino)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide
CID 135678709
2-anilino-N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide
CID 136662896
N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 135515696
[2-[(Z)-[[2-(4-methylanilino)acetyl]hydrazinylidene]methyl]phenyl] 3,4,5-trimethoxybenzoate
CID 5430601

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide (CID 871407) is N-[(2,4-dimethoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide is COc1ccc(C=NNC(=O)CNc2ccc(C)cc2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide?
The InChIKey is PUFBHGZBWGVLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-13-4-7-15(8-5-13)19-12-18(22)21-20-11-14-6-9-16(23-2)10-17(14)24-3/h4-11,19H,12H2,1-3H3,(H,21,22).
What are the key properties of N-[(2,4-dimethoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide?
N-[(2,4-dimethoxyphenyl)methylideneamino]-2-(4-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-[(2,4-dimethoxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide is sourced from PubChem (CID 871407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).