N-(2,5-dimethylphenyl)-N'-(furan-2-ylmethylideneamino)butanediamide

C17H19N3O3 — CID 3289300

IUPACN-(2,5-dimethylphenyl)-N'-(furan-2-ylmethylideneamino)butanediamide
SMILESCc1ccc(C)c(NC(=O)CCC(=O)NN=Cc2ccco2)c1
InChIInChI=1S/C17H19N3O3/c1-12-5-6-13(2)15(10-12)19-16(21)7-8-17(22)20-18-11-14-4-3-9-23-14/h3-6,9-11H,7-8H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyQHUXTLDKGXVLCV-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.77
Rot. Bonds6

About N-(2,5-dimethylphenyl)-N'-(furan-2-ylmethylideneamino)butanediamide

N-(2,5-dimethylphenyl)-N'-(furan-2-ylmethylideneamino)butanediamide (PubChem CID 3289300) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-N'-(furan-2-ylmethylideneamino)butanediamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-N'-(furan-2-ylmethylideneamino)butanediamide
PubChem CID3289300
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-(2,5-dimethylphenyl)-N'-(furan-2-ylmethylideneamino)butanediamide
SMILESCc1ccc(C)c(NC(=O)CCC(=O)NN=Cc2ccco2)c1
InChIInChI=1S/C17H19N3O3/c1-12-5-6-13(2)15(10-12)19-16(21)7-8-17(22)20-18-11-14-4-3-9-23-14/h3-6,9-11H,7-8H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyQHUXTLDKGXVLCV-UHFFFAOYSA-N
XLogP2.77
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.77
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'}

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Related Compounds

N'-[(Z)-furan-2-ylmethylideneamino]-N-(4-methylphenyl)butanediamide
CID 6053974
N-(2,3-dimethylphenyl)-N'-(furan-2-ylmethylideneamino)butanediamide
CID 4164018
N'-[[4-[[[4-(2,5-dimethylanilino)-4-oxobutanoyl]hydrazinylidene]methyl]phenyl]methylideneamino]-N-(2,5-dimethylphenyl)butanediamide
CID 3604245
N,N'-bis(furan-2-ylmethylideneamino)decanediamide
CID 5226719
2-(2,4-dimethylphenoxy)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
CID 6020779
N-(2,5-dimethylphenyl)-N'-[(5-nitrofuran-2-yl)methylideneamino]butanediamide
CID 3289301
N-(2,5-dimethylphenyl)-N'-(naphthalen-2-ylmethylideneamino)butanediamide
CID 3297103
N-(2,5-dimethylphenyl)-2-[[5-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7926577
N-(2,5-dimethylphenyl)-N'-[(5-methylthiophen-2-yl)methylideneamino]butanediamide
CID 3289546
2-(3,4-dimethylanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
CID 5426354
N-(4-ethoxyphenyl)-N'-(furan-2-ylmethylideneamino)butanediamide
CID 3584762
N-(2,5-dimethylphenyl)-N'-[(2-propoxyphenyl)methylideneamino]butanediamide
CID 5197278

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-N'-(furan-2-ylmethylideneamino)butanediamide?
The IUPAC name of N-(2,5-dimethylphenyl)-N'-(furan-2-ylmethylideneamino)butanediamide (CID 3289300) is N-(2,5-dimethylphenyl)-N'-(furan-2-ylmethylideneamino)butanediamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-N'-(furan-2-ylmethylideneamino)butanediamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-N'-(furan-2-ylmethylideneamino)butanediamide is Cc1ccc(C)c(NC(=O)CCC(=O)NN=Cc2ccco2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-N'-(furan-2-ylmethylideneamino)butanediamide?
The InChIKey is QHUXTLDKGXVLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-12-5-6-13(2)15(10-12)19-16(21)7-8-17(22)20-18-11-14-4-3-9-23-14/h3-6,9-11H,7-8H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-(2,5-dimethylphenyl)-N'-(furan-2-ylmethylideneamino)butanediamide?
N-(2,5-dimethylphenyl)-N'-(furan-2-ylmethylideneamino)butanediamide has a molecular weight of 313.36 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-N'-(furan-2-ylmethylideneamino)butanediamide is sourced from PubChem (CID 3289300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).