N-[(Z)-[4-(4-ethoxyanilino)-4-oxobutan-2-ylidene]amino]pentanamide

C17H25N3O3 — CID 6104390

IUPACN-[(Z)-[4-(4-ethoxyanilino)-4-oxobutan-2-ylidene]amino]pentanamide
SMILESCCCCC(=O)N/N=C(/C)CC(=O)Nc1ccc(OCC)cc1
InChIInChI=1S/C17H25N3O3/c1-4-6-7-16(21)20-19-13(3)12-17(22)18-14-8-10-15(11-9-14)23-5-2/h8-11H,4-7,12H2,1-3H3,(H,18,22)(H,20,21)/b19-13-
InChIKeyIQCRHLQYGCOTSG-UYRXBGFRSA-N
MW319.41 g/mol
LogP3.10
Rot. Bonds9

About N-[(Z)-[4-(4-ethoxyanilino)-4-oxobutan-2-ylidene]amino]pentanamide

N-[(Z)-[4-(4-ethoxyanilino)-4-oxobutan-2-ylidene]amino]pentanamide (PubChem CID 6104390) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-[(Z)-[4-(4-ethoxyanilino)-4-oxobutan-2-ylidene]amino]pentanamide.

Molecular Properties

Compound NameN-[(Z)-[4-(4-ethoxyanilino)-4-oxobutan-2-ylidene]amino]pentanamide
PubChem CID6104390
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC NameN-[(Z)-[4-(4-ethoxyanilino)-4-oxobutan-2-ylidene]amino]pentanamide
SMILESCCCCC(=O)N/N=C(/C)CC(=O)Nc1ccc(OCC)cc1
InChIInChI=1S/C17H25N3O3/c1-4-6-7-16(21)20-19-13(3)12-17(22)18-14-8-10-15(11-9-14)23-5-2/h8-11H,4-7,12H2,1-3H3,(H,18,22)(H,20,21)/b19-13-
InChIKeyIQCRHLQYGCOTSG-UYRXBGFRSA-N
XLogP3.10
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.10
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

ethyl 3-[[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinylidene]butanoate
CID 5118044
N-[[4-(3,4-dimethylanilino)-4-oxobutan-2-ylidene]amino]pentanamide
CID 3923948
N-[(4-anilino-4-oxobutan-2-ylidene)amino]dodecanamide
CID 4549541
(3E)-N-(4-ethoxyphenyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide
CID 171978946
N,N'-bis(4-ethoxyphenyl)nonanediamide
CID 4507995
N-(4-ethoxyphenyl)-N'-[(E)-1-phenylhexylideneamino]butanediamide
CID 6392223
N-[1-(4-ethoxyphenyl)ethylideneamino]heptanamide
CID 3694468
N-[(Z)-[4-(2,5-dimethoxyanilino)-4-oxobutan-2-ylidene]amino]pentanamide
CID 6029887
ethyl (3Z)-3-[[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinylidene]-2-ethylbutanoate
CID 6275505
5-chloro-N-[[4-(4-ethoxyanilino)-4-oxobutan-2-ylidene]amino]-2-hydroxybenzamide
CID 3129907
4-[2-[5-[2-[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinyl]-5-oxopentanoyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 5119958
4-[2-[6-[2-[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinyl]-6-oxohexanoyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 5119959

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-(4-ethoxyanilino)-4-oxobutan-2-ylidene]amino]pentanamide?
The IUPAC name of N-[(Z)-[4-(4-ethoxyanilino)-4-oxobutan-2-ylidene]amino]pentanamide (CID 6104390) is N-[(Z)-[4-(4-ethoxyanilino)-4-oxobutan-2-ylidene]amino]pentanamide.
What is the SMILES notation for N-[(Z)-[4-(4-ethoxyanilino)-4-oxobutan-2-ylidene]amino]pentanamide?
The canonical SMILES for N-[(Z)-[4-(4-ethoxyanilino)-4-oxobutan-2-ylidene]amino]pentanamide is CCCCC(=O)N/N=C(/C)CC(=O)Nc1ccc(OCC)cc1.
What is the InChIKey of N-[(Z)-[4-(4-ethoxyanilino)-4-oxobutan-2-ylidene]amino]pentanamide?
The InChIKey is IQCRHLQYGCOTSG-UYRXBGFRSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-4-6-7-16(21)20-19-13(3)12-17(22)18-14-8-10-15(11-9-14)23-5-2/h8-11H,4-7,12H2,1-3H3,(H,18,22)(H,20,21)/b19-13-.
What are the key properties of N-[(Z)-[4-(4-ethoxyanilino)-4-oxobutan-2-ylidene]amino]pentanamide?
N-[(Z)-[4-(4-ethoxyanilino)-4-oxobutan-2-ylidene]amino]pentanamide has a molecular weight of 319.41 g/mol, XLogP of 3.10, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-(4-ethoxyanilino)-4-oxobutan-2-ylidene]amino]pentanamide is sourced from PubChem (CID 6104390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).