N-ethyl-4-[[2-oxo-2-(4-prop-2-enoxyanilino)ethyl]amino]-N-phenylbenzamide

C26H27N3O3 — CID 54838593

IUPACN-ethyl-4-[[2-oxo-2-(4-prop-2-enoxyanilino)ethyl]amino]-N-phenylbenzamide
SMILESC=CCOc1ccc(NC(=O)CNc2ccc(C(=O)N(CC)c3ccccc3)cc2)cc1
InChIInChI=1S/C26H27N3O3/c1-3-18-32-24-16-14-22(15-17-24)28-25(30)19-27-21-12-10-20(11-13-21)26(31)29(4-2)23-8-6-5-7-9-23/h3,5-17,27H,1,4,18-19H2,2H3,(H,28,30)
InChIKeyLOHSZXYHQXVXKT-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.97
Rot. Bonds10

About N-ethyl-4-[[2-oxo-2-(4-prop-2-enoxyanilino)ethyl]amino]-N-phenylbenzamide

N-ethyl-4-[[2-oxo-2-(4-prop-2-enoxyanilino)ethyl]amino]-N-phenylbenzamide (PubChem CID 54838593) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-ethyl-4-[[2-oxo-2-(4-prop-2-enoxyanilino)ethyl]amino]-N-phenylbenzamide.

Molecular Properties

Compound NameN-ethyl-4-[[2-oxo-2-(4-prop-2-enoxyanilino)ethyl]amino]-N-phenylbenzamide
PubChem CID54838593
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC NameN-ethyl-4-[[2-oxo-2-(4-prop-2-enoxyanilino)ethyl]amino]-N-phenylbenzamide
SMILESC=CCOc1ccc(NC(=O)CNc2ccc(C(=O)N(CC)c3ccccc3)cc2)cc1
InChIInChI=1S/C26H27N3O3/c1-3-18-32-24-16-14-22(15-17-24)28-25(30)19-27-21-12-10-20(11-13-21)26(31)29(4-2)23-8-6-5-7-9-23/h3,5-17,27H,1,4,18-19H2,2H3,(H,28,30)
InChIKeyLOHSZXYHQXVXKT-UHFFFAOYSA-N
XLogP4.97
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-phenyl-4-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide
CID 54824329
N-ethyl-4-[[2-(4-methoxyanilino)acetyl]amino]-N-phenylbenzamide
CID 54812554
propyl 4-[[2-[4-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]benzoate
CID 54812803
N-tert-butyl-4-[[2-[4-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]benzamide
CID 54834536
N-benzyl-4-[[2-oxo-2-(4-prop-2-enoxyanilino)ethyl]amino]benzamide
CID 54843914
N-ethyl-N-phenyl-4-[[2-(3-phenylmethoxyanilino)acetyl]amino]benzamide
CID 54826705
N-ethyl-N-phenyl-4-[[2-[3-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54833295
N-ethyl-4-[[2-(ethylamino)acetyl]amino]-N-phenylbenzamide
CID 54820940
N-ethyl-3-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]-N-phenylbenzamide
CID 54820208
4-[[2-[bis(prop-2-enyl)amino]acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 54817927
N-ethyl-4-[[2-[2-(2-methylprop-2-enoxy)anilino]acetyl]amino]-N-phenylbenzamide
CID 54826157
N-ethyl-4-[[2-[2-(2-methylpropoxy)anilino]acetyl]amino]-N-phenylbenzamide
CID 54823853

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[[2-oxo-2-(4-prop-2-enoxyanilino)ethyl]amino]-N-phenylbenzamide?
The IUPAC name of N-ethyl-4-[[2-oxo-2-(4-prop-2-enoxyanilino)ethyl]amino]-N-phenylbenzamide (CID 54838593) is N-ethyl-4-[[2-oxo-2-(4-prop-2-enoxyanilino)ethyl]amino]-N-phenylbenzamide.
What is the SMILES notation for N-ethyl-4-[[2-oxo-2-(4-prop-2-enoxyanilino)ethyl]amino]-N-phenylbenzamide?
The canonical SMILES for N-ethyl-4-[[2-oxo-2-(4-prop-2-enoxyanilino)ethyl]amino]-N-phenylbenzamide is C=CCOc1ccc(NC(=O)CNc2ccc(C(=O)N(CC)c3ccccc3)cc2)cc1.
What is the InChIKey of N-ethyl-4-[[2-oxo-2-(4-prop-2-enoxyanilino)ethyl]amino]-N-phenylbenzamide?
The InChIKey is LOHSZXYHQXVXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-3-18-32-24-16-14-22(15-17-24)28-25(30)19-27-21-12-10-20(11-13-21)26(31)29(4-2)23-8-6-5-7-9-23/h3,5-17,27H,1,4,18-19H2,2H3,(H,28,30).
What are the key properties of N-ethyl-4-[[2-oxo-2-(4-prop-2-enoxyanilino)ethyl]amino]-N-phenylbenzamide?
N-ethyl-4-[[2-oxo-2-(4-prop-2-enoxyanilino)ethyl]amino]-N-phenylbenzamide has a molecular weight of 429.52 g/mol, XLogP of 4.97, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[[2-oxo-2-(4-prop-2-enoxyanilino)ethyl]amino]-N-phenylbenzamide is sourced from PubChem (CID 54838593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).