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

C25H25N3O3 — CID 54843914

IUPACN-benzyl-4-[[2-oxo-2-(4-prop-2-enoxyanilino)ethyl]amino]benzamide
SMILESC=CCOc1ccc(NC(=O)CNc2ccc(C(=O)NCc3ccccc3)cc2)cc1
InChIInChI=1S/C25H25N3O3/c1-2-16-31-23-14-12-22(13-15-23)28-24(29)18-26-21-10-8-20(9-11-21)25(30)27-17-19-6-4-3-5-7-19/h2-15,26H,1,16-18H2,(H,27,30)(H,28,29)
InChIKeyOFKGHXXKZRXJSO-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.23
Rot. Bonds10

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

N-benzyl-4-[[2-oxo-2-(4-prop-2-enoxyanilino)ethyl]amino]benzamide (PubChem CID 54843914) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is N-benzyl-4-[[2-oxo-2-(4-prop-2-enoxyanilino)ethyl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-4-[[2-oxo-2-(4-prop-2-enoxyanilino)ethyl]amino]benzamide
PubChem CID54843914
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC NameN-benzyl-4-[[2-oxo-2-(4-prop-2-enoxyanilino)ethyl]amino]benzamide
SMILESC=CCOc1ccc(NC(=O)CNc2ccc(C(=O)NCc3ccccc3)cc2)cc1
InChIInChI=1S/C25H25N3O3/c1-2-16-31-23-14-12-22(13-15-23)28-24(29)18-26-21-10-8-20(9-11-21)25(30)27-17-19-6-4-3-5-7-19/h2-15,26H,1,16-18H2,(H,27,30)(H,28,29)
InChIKeyOFKGHXXKZRXJSO-UHFFFAOYSA-N
XLogP4.23
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-4-[[2-(4-ethoxyanilino)acetyl]amino]benzamide
CID 54810964
N-benzyl-4-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54843854
N-benzyl-4-[[2-(naphthalen-2-ylamino)acetyl]amino]benzamide
CID 54839752
4-[[2-[4-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide
CID 54835804
N-benzyl-4-[[2-(4-phenylphenoxy)acetyl]amino]benzamide
CID 28639925
N-ethyl-4-[[2-oxo-2-(4-prop-2-enoxyanilino)ethyl]amino]-N-phenylbenzamide
CID 54838593
N-benzyl-4-[[2-oxo-2-(3-phenylmethoxyanilino)ethyl]amino]benzamide
CID 54843886
N-benzyl-4-[[2-(4-methylphenoxy)acetyl]amino]benzamide
CID 28639871
N-benzyl-2-[(4-prop-2-enoxybenzoyl)amino]benzamide
CID 4945203
N-ethyl-4-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]benzamide
CID 54823874
N-benzyl-4-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]benzamide
CID 54844035
N-ethyl-4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide
CID 54839113

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[[2-oxo-2-(4-prop-2-enoxyanilino)ethyl]amino]benzamide?
The IUPAC name of N-benzyl-4-[[2-oxo-2-(4-prop-2-enoxyanilino)ethyl]amino]benzamide (CID 54843914) is N-benzyl-4-[[2-oxo-2-(4-prop-2-enoxyanilino)ethyl]amino]benzamide.
What is the SMILES notation for N-benzyl-4-[[2-oxo-2-(4-prop-2-enoxyanilino)ethyl]amino]benzamide?
The canonical SMILES for N-benzyl-4-[[2-oxo-2-(4-prop-2-enoxyanilino)ethyl]amino]benzamide is C=CCOc1ccc(NC(=O)CNc2ccc(C(=O)NCc3ccccc3)cc2)cc1.
What is the InChIKey of N-benzyl-4-[[2-oxo-2-(4-prop-2-enoxyanilino)ethyl]amino]benzamide?
The InChIKey is OFKGHXXKZRXJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-2-16-31-23-14-12-22(13-15-23)28-24(29)18-26-21-10-8-20(9-11-21)25(30)27-17-19-6-4-3-5-7-19/h2-15,26H,1,16-18H2,(H,27,30)(H,28,29).
What are the key properties of N-benzyl-4-[[2-oxo-2-(4-prop-2-enoxyanilino)ethyl]amino]benzamide?
N-benzyl-4-[[2-oxo-2-(4-prop-2-enoxyanilino)ethyl]amino]benzamide has a molecular weight of 415.49 g/mol, XLogP of 4.23, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[[2-oxo-2-(4-prop-2-enoxyanilino)ethyl]amino]benzamide is sourced from PubChem (CID 54843914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).