N'-[(2-methoxyphenyl)methylideneamino]-N-(2-methylphenyl)butanediamide

C19H21N3O3 — CID 4023878

IUPACN'-[(2-methoxyphenyl)methylideneamino]-N-(2-methylphenyl)butanediamide
SMILESCOc1ccccc1C=NNC(=O)CCC(=O)Nc1ccccc1C
InChIInChI=1S/C19H21N3O3/c1-14-7-3-5-9-16(14)21-18(23)11-12-19(24)22-20-13-15-8-4-6-10-17(15)25-2/h3-10,13H,11-12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyFTTQCPZBRCGFRU-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.87
Rot. Bonds7

About N'-[(2-methoxyphenyl)methylideneamino]-N-(2-methylphenyl)butanediamide

N'-[(2-methoxyphenyl)methylideneamino]-N-(2-methylphenyl)butanediamide (PubChem CID 4023878) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N'-[(2-methoxyphenyl)methylideneamino]-N-(2-methylphenyl)butanediamide.

Molecular Properties

Compound NameN'-[(2-methoxyphenyl)methylideneamino]-N-(2-methylphenyl)butanediamide
PubChem CID4023878
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN'-[(2-methoxyphenyl)methylideneamino]-N-(2-methylphenyl)butanediamide
SMILESCOc1ccccc1C=NNC(=O)CCC(=O)Nc1ccccc1C
InChIInChI=1S/C19H21N3O3/c1-14-7-3-5-9-16(14)21-18(23)11-12-19(24)22-20-13-15-8-4-6-10-17(15)25-2/h3-10,13H,11-12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyFTTQCPZBRCGFRU-UHFFFAOYSA-N
XLogP2.87
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
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'}

Analyze N'-[(2-methoxyphenyl)methylideneamino]-N-(2-methylphenyl)butanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-fluorophenyl)-N'-[(2-methoxyphenyl)methylideneamino]butanediamide
CID 3921496
N-(3,4-dimethylphenyl)-N'-[(2-methoxyphenyl)methylideneamino]butanediamide
CID 4659144
N'-[(Z)-(2-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)butanediamide
CID 136861998
N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-(2-methylphenyl)propanediamide
CID 135717008
N-(2,4-dichlorophenyl)-N'-[(2-methoxyphenyl)methylideneamino]butanediamide
CID 5230712
N'-[(2,5-dimethoxyphenyl)methylideneamino]-N-(2-methoxyphenyl)butanediamide
CID 3962833
N'-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-methylphenyl)butanediamide
CID 3575444
N-(4-bromophenyl)-N'-[(Z)-(2-methoxyphenyl)methylideneamino]pentanediamide
CID 126271169
N-(2,3-dimethylphenyl)-N'-[(3-methoxy-2-pentoxyphenyl)methylideneamino]butanediamide
CID 3270963
N-(2,5-dimethylphenyl)-N'-[(2-ethoxyphenyl)methylideneamino]butanediamide
CID 3297111
2-(2,6-dimethylanilino)-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide
CID 7256123
2-(2,6-dimethylphenoxy)-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide
CID 5420735

Frequently Asked Questions

What is the IUPAC name of N'-[(2-methoxyphenyl)methylideneamino]-N-(2-methylphenyl)butanediamide?
The IUPAC name of N'-[(2-methoxyphenyl)methylideneamino]-N-(2-methylphenyl)butanediamide (CID 4023878) is N'-[(2-methoxyphenyl)methylideneamino]-N-(2-methylphenyl)butanediamide.
What is the SMILES notation for N'-[(2-methoxyphenyl)methylideneamino]-N-(2-methylphenyl)butanediamide?
The canonical SMILES for N'-[(2-methoxyphenyl)methylideneamino]-N-(2-methylphenyl)butanediamide is COc1ccccc1C=NNC(=O)CCC(=O)Nc1ccccc1C.
What is the InChIKey of N'-[(2-methoxyphenyl)methylideneamino]-N-(2-methylphenyl)butanediamide?
The InChIKey is FTTQCPZBRCGFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-14-7-3-5-9-16(14)21-18(23)11-12-19(24)22-20-13-15-8-4-6-10-17(15)25-2/h3-10,13H,11-12H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N'-[(2-methoxyphenyl)methylideneamino]-N-(2-methylphenyl)butanediamide?
N'-[(2-methoxyphenyl)methylideneamino]-N-(2-methylphenyl)butanediamide has a molecular weight of 339.40 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-methoxyphenyl)methylideneamino]-N-(2-methylphenyl)butanediamide is sourced from PubChem (CID 4023878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).