N-[[4-(2-ethylanilino)-4-oxobutan-2-ylidene]amino]-4-methoxybenzamide

C20H23N3O3 — CID 585009

IUPACN-[[4-(2-ethylanilino)-4-oxobutan-2-ylidene]amino]-4-methoxybenzamide
SMILESCCc1ccccc1NC(=O)CC(C)=NNC(=O)c1ccc(OC)cc1
InChIInChI=1S/C20H23N3O3/c1-4-15-7-5-6-8-18(15)21-19(24)13-14(2)22-23-20(25)16-9-11-17(26-3)12-10-16/h5-12H,4,13H2,1-3H3,(H,21,24)(H,23,25)
InChIKeyFDPLHZYNYNQBSU-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.39
Rot. Bonds7

About N-[[4-(2-ethylanilino)-4-oxobutan-2-ylidene]amino]-4-methoxybenzamide

N-[[4-(2-ethylanilino)-4-oxobutan-2-ylidene]amino]-4-methoxybenzamide (PubChem CID 585009) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[[4-(2-ethylanilino)-4-oxobutan-2-ylidene]amino]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[[4-(2-ethylanilino)-4-oxobutan-2-ylidene]amino]-4-methoxybenzamide
PubChem CID585009
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-[[4-(2-ethylanilino)-4-oxobutan-2-ylidene]amino]-4-methoxybenzamide
SMILESCCc1ccccc1NC(=O)CC(C)=NNC(=O)c1ccc(OC)cc1
InChIInChI=1S/C20H23N3O3/c1-4-15-7-5-6-8-18(15)21-19(24)13-14(2)22-23-20(25)16-9-11-17(26-3)12-10-16/h5-12H,4,13H2,1-3H3,(H,21,24)(H,23,25)
InChIKeyFDPLHZYNYNQBSU-UHFFFAOYSA-N
XLogP3.39
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
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': '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
(3Z)-3-(acetylhydrazinylidene)-N-(2-ethylphenyl)butanamide
CID 5371000
N-(2-ethylphenyl)-3-[(2-methoxyacetyl)hydrazinylidene]butanamide
CID 542528
N-[(E)-[4-(2-ethylanilino)-4-oxobutan-2-ylidene]amino]-3-hydroxybenzamide
CID 6321959
3-bromo-N-[[4-(2-ethylanilino)-4-oxobutan-2-ylidene]amino]benzamide
CID 3916438
N-[[4-(2-methoxyanilino)-4-oxobutan-2-ylidene]amino]naphthalene-2-carboxamide
CID 4115333
N-[[4-(2-ethylanilino)-4-oxobutan-2-ylidene]amino]-3-fluorobenzamide
CID 4662875
methyl (3Z)-3-[(4-methoxybenzoyl)hydrazinylidene]butanoate
CID 23268418
3-chloro-N-[[4-(2-ethylanilino)-4-oxobutan-2-ylidene]amino]-4-nitrobenzamide
CID 4914002
4-methoxy-N-[(Z)-[4-oxo-4-[[(1S)-1-phenylethyl]amino]butan-2-ylidene]amino]benzamide
CID 7269523
4-methoxy-N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]benzamide
CID 9359348
4-chloro-N-[(E)-[4-(2,4-dimethoxyanilino)-4-oxobutan-2-ylidene]amino]benzamide
CID 7225178

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-ethylanilino)-4-oxobutan-2-ylidene]amino]-4-methoxybenzamide?
The IUPAC name of N-[[4-(2-ethylanilino)-4-oxobutan-2-ylidene]amino]-4-methoxybenzamide (CID 585009) is N-[[4-(2-ethylanilino)-4-oxobutan-2-ylidene]amino]-4-methoxybenzamide.
What is the SMILES notation for N-[[4-(2-ethylanilino)-4-oxobutan-2-ylidene]amino]-4-methoxybenzamide?
The canonical SMILES for N-[[4-(2-ethylanilino)-4-oxobutan-2-ylidene]amino]-4-methoxybenzamide is CCc1ccccc1NC(=O)CC(C)=NNC(=O)c1ccc(OC)cc1.
What is the InChIKey of N-[[4-(2-ethylanilino)-4-oxobutan-2-ylidene]amino]-4-methoxybenzamide?
The InChIKey is FDPLHZYNYNQBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-4-15-7-5-6-8-18(15)21-19(24)13-14(2)22-23-20(25)16-9-11-17(26-3)12-10-16/h5-12H,4,13H2,1-3H3,(H,21,24)(H,23,25).
What are the key properties of N-[[4-(2-ethylanilino)-4-oxobutan-2-ylidene]amino]-4-methoxybenzamide?
N-[[4-(2-ethylanilino)-4-oxobutan-2-ylidene]amino]-4-methoxybenzamide has a molecular weight of 353.42 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-ethylanilino)-4-oxobutan-2-ylidene]amino]-4-methoxybenzamide is sourced from PubChem (CID 585009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).