N-(3,4-dimethylphenyl)-N'-[(4-propan-2-ylphenyl)methylideneamino]butanediamide

C22H27N3O2 — CID 4082454

IUPACN-(3,4-dimethylphenyl)-N'-[(4-propan-2-ylphenyl)methylideneamino]butanediamide
SMILESCc1ccc(NC(=O)CCC(=O)NN=Cc2ccc(C(C)C)cc2)cc1C
InChIInChI=1S/C22H27N3O2/c1-15(2)19-8-6-18(7-9-19)14-23-25-22(27)12-11-21(26)24-20-10-5-16(3)17(4)13-20/h5-10,13-15H,11-12H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyKJQCQGUPKGWXBS-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.30
Rot. Bonds7

About N-(3,4-dimethylphenyl)-N'-[(4-propan-2-ylphenyl)methylideneamino]butanediamide

N-(3,4-dimethylphenyl)-N'-[(4-propan-2-ylphenyl)methylideneamino]butanediamide (PubChem CID 4082454) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-N'-[(4-propan-2-ylphenyl)methylideneamino]butanediamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-N'-[(4-propan-2-ylphenyl)methylideneamino]butanediamide
PubChem CID4082454
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-(3,4-dimethylphenyl)-N'-[(4-propan-2-ylphenyl)methylideneamino]butanediamide
SMILESCc1ccc(NC(=O)CCC(=O)NN=Cc2ccc(C(C)C)cc2)cc1C
InChIInChI=1S/C22H27N3O2/c1-15(2)19-8-6-18(7-9-19)14-23-25-22(27)12-11-21(26)24-20-10-5-16(3)17(4)13-20/h5-10,13-15H,11-12H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyKJQCQGUPKGWXBS-UHFFFAOYSA-N
XLogP4.30
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.30
H-Bond Donors ≤ 52
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'}

Analyze N-(3,4-dimethylphenyl)-N'-[(4-propan-2-ylphenyl)methylideneamino]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-(3,4-dimethylphenyl)-N'-[(4-fluorophenyl)methylideneamino]butanediamide
CID 3355238
N'-[(3-chlorophenyl)methylideneamino]-N-(3,4-dimethylphenyl)butanediamide
CID 5230931
N-(3,4-dimethylphenyl)-N'-(pyridin-3-ylmethylideneamino)butanediamide
CID 4039695
N'-[[4-[[[4-(2,5-dimethylanilino)-4-oxobutanoyl]hydrazinylidene]methyl]phenyl]methylideneamino]-N-(2,5-dimethylphenyl)butanediamide
CID 3604245
N'-[(4-tert-butylphenyl)methylideneamino]-N-(3,4-dimethylphenyl)propanediamide
CID 5024996
N'-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(3,4-dimethylphenyl)butanediamide
CID 3355241
N'-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-N-(3,4-dimethylphenyl)butanediamide
CID 135715645
N-(2-methylphenyl)-N'-[(4-propan-2-ylphenyl)methylideneamino]propanediamide
CID 3655252
N-(3,4-dimethylphenyl)-N'-[(2-methoxyphenyl)methylideneamino]butanediamide
CID 4659144
N-(4-methylphenyl)-N'-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]butanediamide
CID 3254703
N,N'-bis(3,4-dimethylphenyl)-2-[(4-propan-2-ylphenyl)methylidene]propanediamide
CID 3331137
N-(3-chlorophenyl)-N'-[(Z)-(4-chlorophenyl)methylideneamino]butanediamide
CID 6161963

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-N'-[(4-propan-2-ylphenyl)methylideneamino]butanediamide?
The IUPAC name of N-(3,4-dimethylphenyl)-N'-[(4-propan-2-ylphenyl)methylideneamino]butanediamide (CID 4082454) is N-(3,4-dimethylphenyl)-N'-[(4-propan-2-ylphenyl)methylideneamino]butanediamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-N'-[(4-propan-2-ylphenyl)methylideneamino]butanediamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-N'-[(4-propan-2-ylphenyl)methylideneamino]butanediamide is Cc1ccc(NC(=O)CCC(=O)NN=Cc2ccc(C(C)C)cc2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-N'-[(4-propan-2-ylphenyl)methylideneamino]butanediamide?
The InChIKey is KJQCQGUPKGWXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-15(2)19-8-6-18(7-9-19)14-23-25-22(27)12-11-21(26)24-20-10-5-16(3)17(4)13-20/h5-10,13-15H,11-12H2,1-4H3,(H,24,26)(H,25,27).
What are the key properties of N-(3,4-dimethylphenyl)-N'-[(4-propan-2-ylphenyl)methylideneamino]butanediamide?
N-(3,4-dimethylphenyl)-N'-[(4-propan-2-ylphenyl)methylideneamino]butanediamide has a molecular weight of 365.48 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-N'-[(4-propan-2-ylphenyl)methylideneamino]butanediamide is sourced from PubChem (CID 4082454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).