N-(2,5-dimethylphenyl)-N'-(1-phenylbutylideneamino)butanediamide

C22H27N3O2 — CID 3323455

IUPACN-(2,5-dimethylphenyl)-N'-(1-phenylbutylideneamino)butanediamide
SMILESCCCC(=NNC(=O)CCC(=O)Nc1cc(C)ccc1C)c1ccccc1
InChIInChI=1S/C22H27N3O2/c1-4-8-19(18-9-6-5-7-10-18)24-25-22(27)14-13-21(26)23-20-15-16(2)11-12-17(20)3/h5-7,9-12,15H,4,8,13-14H2,1-3H3,(H,23,26)(H,25,27)
InChIKeyWDIFSGNGGLLRFQ-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.34
Rot. Bonds8

About N-(2,5-dimethylphenyl)-N'-(1-phenylbutylideneamino)butanediamide

N-(2,5-dimethylphenyl)-N'-(1-phenylbutylideneamino)butanediamide (PubChem CID 3323455) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-N'-(1-phenylbutylideneamino)butanediamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-N'-(1-phenylbutylideneamino)butanediamide
PubChem CID3323455
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-(2,5-dimethylphenyl)-N'-(1-phenylbutylideneamino)butanediamide
SMILESCCCC(=NNC(=O)CCC(=O)Nc1cc(C)ccc1C)c1ccccc1
InChIInChI=1S/C22H27N3O2/c1-4-8-19(18-9-6-5-7-10-18)24-25-22(27)14-13-21(26)23-20-15-16(2)11-12-17(20)3/h5-7,9-12,15H,4,8,13-14H2,1-3H3,(H,23,26)(H,25,27)
InChIKeyWDIFSGNGGLLRFQ-UHFFFAOYSA-N
XLogP4.34
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.34
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'}

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Related Compounds

N-(2,4-dimethylphenyl)-N'-(1-phenylpropylideneamino)butanediamide
CID 3462359
N-(3,4-dimethylphenyl)-N'-[(E)-1-phenylbutylideneamino]butanediamide
CID 6122698
N-(2,5-dimethylphenyl)-N'-[(E)-1-(4-hydroxyphenyl)propylideneamino]butanediamide
CID 135560229
2-(2,5-dimethylphenoxy)-N-(1-phenylbutylideneamino)acetamide
CID 3304000
ethyl (2R,3Z)-3-[[4-(2,5-dimethylanilino)-4-oxobutanoyl]hydrazinylidene]-2-methylbutanoate
CID 7269735
N-(2,5-dimethylphenyl)-N'-[(2-propoxyphenyl)methylideneamino]butanediamide
CID 5197278
N-(2,5-dimethylphenyl)-3-(dipropylamino)propanamide
CID 109033115
N-(2,4-dimethylphenyl)-N'-[(E)-1-(4-hydroxyphenyl)propylideneamino]butanediamide
CID 135560053
N-(2,4-dimethylphenyl)-N'-[(Z)-1-(4-hydroxyphenyl)propylideneamino]butanediamide
CID 136893033
N-(2,5-dimethylphenyl)-N'-[(2-ethoxyphenyl)methylideneamino]butanediamide
CID 3297111
N'-[[4-[[[4-(2,5-dimethylanilino)-4-oxobutanoyl]hydrazinylidene]methyl]phenyl]methylideneamino]-N-(2,5-dimethylphenyl)butanediamide
CID 3604245
N-(2,5-dimethylphenyl)-4-oxo-4-(2-tetradecanoylhydrazinyl)butanamide
CID 54792025

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-N'-(1-phenylbutylideneamino)butanediamide?
The IUPAC name of N-(2,5-dimethylphenyl)-N'-(1-phenylbutylideneamino)butanediamide (CID 3323455) is N-(2,5-dimethylphenyl)-N'-(1-phenylbutylideneamino)butanediamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-N'-(1-phenylbutylideneamino)butanediamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-N'-(1-phenylbutylideneamino)butanediamide is CCCC(=NNC(=O)CCC(=O)Nc1cc(C)ccc1C)c1ccccc1.
What is the InChIKey of N-(2,5-dimethylphenyl)-N'-(1-phenylbutylideneamino)butanediamide?
The InChIKey is WDIFSGNGGLLRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-4-8-19(18-9-6-5-7-10-18)24-25-22(27)14-13-21(26)23-20-15-16(2)11-12-17(20)3/h5-7,9-12,15H,4,8,13-14H2,1-3H3,(H,23,26)(H,25,27).
What are the key properties of N-(2,5-dimethylphenyl)-N'-(1-phenylbutylideneamino)butanediamide?
N-(2,5-dimethylphenyl)-N'-(1-phenylbutylideneamino)butanediamide has a molecular weight of 365.48 g/mol, XLogP of 4.34, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-N'-(1-phenylbutylideneamino)butanediamide is sourced from PubChem (CID 3323455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).