N-[(Z)-[4-(2,5-dimethoxyanilino)-4-oxobutan-2-ylidene]amino]pentanamide

C17H25N3O4 — CID 6029887

IUPACN-[(Z)-[4-(2,5-dimethoxyanilino)-4-oxobutan-2-ylidene]amino]pentanamide
SMILESCCCCC(=O)N/N=C(/C)CC(=O)Nc1cc(OC)ccc1OC
InChIInChI=1S/C17H25N3O4/c1-5-6-7-16(21)20-19-12(2)10-17(22)18-14-11-13(23-3)8-9-15(14)24-4/h8-9,11H,5-7,10H2,1-4H3,(H,18,22)(H,20,21)/b19-12-
InChIKeyRLCWRXWZHYYBSX-UNOMPAQXSA-N
MW335.40 g/mol
LogP2.71
Rot. Bonds9

About N-[(Z)-[4-(2,5-dimethoxyanilino)-4-oxobutan-2-ylidene]amino]pentanamide

N-[(Z)-[4-(2,5-dimethoxyanilino)-4-oxobutan-2-ylidene]amino]pentanamide (PubChem CID 6029887) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is N-[(Z)-[4-(2,5-dimethoxyanilino)-4-oxobutan-2-ylidene]amino]pentanamide.

Molecular Properties

Compound NameN-[(Z)-[4-(2,5-dimethoxyanilino)-4-oxobutan-2-ylidene]amino]pentanamide
PubChem CID6029887
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC NameN-[(Z)-[4-(2,5-dimethoxyanilino)-4-oxobutan-2-ylidene]amino]pentanamide
SMILESCCCCC(=O)N/N=C(/C)CC(=O)Nc1cc(OC)ccc1OC
InChIInChI=1S/C17H25N3O4/c1-5-6-7-16(21)20-19-12(2)10-17(22)18-14-11-13(23-3)8-9-15(14)24-4/h8-9,11H,5-7,10H2,1-4H3,(H,18,22)(H,20,21)/b19-12-
InChIKeyRLCWRXWZHYYBSX-UNOMPAQXSA-N
XLogP2.71
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.71
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-(2,5-dimethoxyphenyl)hexadecanamide
CID 20789890
N'-[(Z)-[4-(2-acetamidoanilino)-4-oxobutan-2-ylidene]amino]-N-(2,5-dimethoxyphenyl)oxamide
CID 6064629
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
N-[(Z)-[4-(4-ethoxyanilino)-4-oxobutan-2-ylidene]amino]pentanamide
CID 6104390
3-[(2-methoxyacetyl)hydrazinylidene]-N-(2-methoxy-5-methylphenyl)butanamide
CID 542160
N'-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanediamide
CID 108955778
N-[[4-(3,4-dimethylanilino)-4-oxobutan-2-ylidene]amino]pentanamide
CID 3923948
N-(2,5-dimethoxyphenyl)-4-(ethylamino)butanamide
CID 67149586
N'-(2,5-dimethoxyphenyl)-N-propylpropanediamide
CID 108940714
ethyl 3-(2,5-dimethoxyanilino)-3-oxopropanoate
CID 12866654
N-[(Z)-[4-(naphthalen-1-ylamino)-4-oxobutan-2-ylidene]amino]pentanamide
CID 171979194
(3E)-N-(5-chloro-2-methoxyphenyl)-3-[(2-methoxyacetyl)hydrazinylidene]butanamide
CID 17384502

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-(2,5-dimethoxyanilino)-4-oxobutan-2-ylidene]amino]pentanamide?
The IUPAC name of N-[(Z)-[4-(2,5-dimethoxyanilino)-4-oxobutan-2-ylidene]amino]pentanamide (CID 6029887) is N-[(Z)-[4-(2,5-dimethoxyanilino)-4-oxobutan-2-ylidene]amino]pentanamide.
What is the SMILES notation for N-[(Z)-[4-(2,5-dimethoxyanilino)-4-oxobutan-2-ylidene]amino]pentanamide?
The canonical SMILES for N-[(Z)-[4-(2,5-dimethoxyanilino)-4-oxobutan-2-ylidene]amino]pentanamide is CCCCC(=O)N/N=C(/C)CC(=O)Nc1cc(OC)ccc1OC.
What is the InChIKey of N-[(Z)-[4-(2,5-dimethoxyanilino)-4-oxobutan-2-ylidene]amino]pentanamide?
The InChIKey is RLCWRXWZHYYBSX-UNOMPAQXSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-5-6-7-16(21)20-19-12(2)10-17(22)18-14-11-13(23-3)8-9-15(14)24-4/h8-9,11H,5-7,10H2,1-4H3,(H,18,22)(H,20,21)/b19-12-.
What are the key properties of N-[(Z)-[4-(2,5-dimethoxyanilino)-4-oxobutan-2-ylidene]amino]pentanamide?
N-[(Z)-[4-(2,5-dimethoxyanilino)-4-oxobutan-2-ylidene]amino]pentanamide has a molecular weight of 335.40 g/mol, XLogP of 2.71, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-(2,5-dimethoxyanilino)-4-oxobutan-2-ylidene]amino]pentanamide is sourced from PubChem (CID 6029887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).