N-[(Z)-(4-anilino-4-oxobutan-2-ylidene)amino]-4-prop-2-enoxybenzamide

C20H21N3O3 — CID 6380482

IUPACN-[(Z)-(4-anilino-4-oxobutan-2-ylidene)amino]-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)N/N=C(/C)CC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C20H21N3O3/c1-3-13-26-18-11-9-16(10-12-18)20(25)23-22-15(2)14-19(24)21-17-7-5-4-6-8-17/h3-12H,1,13-14H2,2H3,(H,21,24)(H,23,25)/b22-15-
InChIKeyWKYVTRODMAVKPX-JCMHNJIXSA-N
MW351.41 g/mol
LogP3.39
Rot. Bonds8

About N-[(Z)-(4-anilino-4-oxobutan-2-ylidene)amino]-4-prop-2-enoxybenzamide

N-[(Z)-(4-anilino-4-oxobutan-2-ylidene)amino]-4-prop-2-enoxybenzamide (PubChem CID 6380482) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[(Z)-(4-anilino-4-oxobutan-2-ylidene)amino]-4-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-(4-anilino-4-oxobutan-2-ylidene)amino]-4-prop-2-enoxybenzamide
PubChem CID6380482
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[(Z)-(4-anilino-4-oxobutan-2-ylidene)amino]-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)N/N=C(/C)CC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C20H21N3O3/c1-3-13-26-18-11-9-16(10-12-18)20(25)23-22-15(2)14-19(24)21-17-7-5-4-6-8-17/h3-12H,1,13-14H2,2H3,(H,21,24)(H,23,25)/b22-15-
InChIKeyWKYVTRODMAVKPX-JCMHNJIXSA-N
XLogP3.39
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(4-anilino-4-oxobutan-2-ylidene)amino]-4-methoxybenzamide
CID 6382258
N-[(E)-1-phenylethylideneamino]-4-prop-2-enoxybenzamide
CID 6232405
N-[(E)-heptan-2-ylideneamino]-4-prop-2-enoxybenzamide
CID 54784631
N-[(Z)-1-[4-(2-anilino-2-oxoethoxy)phenyl]ethylideneamino]benzamide
CID 9058750
4-acetamido-N-[[4-(4-acetamidoanilino)-4-oxobutan-2-ylidene]amino]benzamide
CID 5029798
N-[(2-methyl-1-phenylpropylidene)amino]-4-prop-2-enoxybenzamide
CID 4982210
N-[(Z)-1-[4-(2-anilino-2-oxoethoxy)phenyl]ethylideneamino]-4-methoxybenzamide
CID 9359242
N-[1-(4-hydroxyphenyl)ethylideneamino]-4-prop-2-enoxybenzamide
CID 4925771
N-[1-(4-methoxyphenyl)ethylideneamino]-4-prop-2-enoxybenzamide
CID 4925777
N-[1-(4-aminophenyl)ethylideneamino]-4-prop-2-enoxybenzamide
CID 4925774
(3Z)-3-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]-N-phenylbutanamide
CID 6387241
4-[[(3E)-3-[(4-acetamidobenzoyl)hydrazinylidene]butanoyl]amino]benzamide
CID 6186119

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-anilino-4-oxobutan-2-ylidene)amino]-4-prop-2-enoxybenzamide?
The IUPAC name of N-[(Z)-(4-anilino-4-oxobutan-2-ylidene)amino]-4-prop-2-enoxybenzamide (CID 6380482) is N-[(Z)-(4-anilino-4-oxobutan-2-ylidene)amino]-4-prop-2-enoxybenzamide.
What is the SMILES notation for N-[(Z)-(4-anilino-4-oxobutan-2-ylidene)amino]-4-prop-2-enoxybenzamide?
The canonical SMILES for N-[(Z)-(4-anilino-4-oxobutan-2-ylidene)amino]-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)N/N=C(/C)CC(=O)Nc2ccccc2)cc1.
What is the InChIKey of N-[(Z)-(4-anilino-4-oxobutan-2-ylidene)amino]-4-prop-2-enoxybenzamide?
The InChIKey is WKYVTRODMAVKPX-JCMHNJIXSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-3-13-26-18-11-9-16(10-12-18)20(25)23-22-15(2)14-19(24)21-17-7-5-4-6-8-17/h3-12H,1,13-14H2,2H3,(H,21,24)(H,23,25)/b22-15-.
What are the key properties of N-[(Z)-(4-anilino-4-oxobutan-2-ylidene)amino]-4-prop-2-enoxybenzamide?
N-[(Z)-(4-anilino-4-oxobutan-2-ylidene)amino]-4-prop-2-enoxybenzamide has a molecular weight of 351.41 g/mol, XLogP of 3.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-anilino-4-oxobutan-2-ylidene)amino]-4-prop-2-enoxybenzamide is sourced from PubChem (CID 6380482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).