N-butyl-3-[[2-(4-phenoxyanilino)acetyl]amino]benzamide

C25H27N3O3 — CID 54812285

IUPACN-butyl-3-[[2-(4-phenoxyanilino)acetyl]amino]benzamide
SMILESCCCCNC(=O)c1cccc(NC(=O)CNc2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C25H27N3O3/c1-2-3-16-26-25(30)19-8-7-9-21(17-19)28-24(29)18-27-20-12-14-23(15-13-20)31-22-10-5-4-6-11-22/h4-15,17,27H,2-3,16,18H2,1H3,(H,26,30)(H,28,29)
InChIKeyGUIBEODWCWIOHT-UHFFFAOYSA-N
MW417.51 g/mol
LogP5.06
Rot. Bonds10

About N-butyl-3-[[2-(4-phenoxyanilino)acetyl]amino]benzamide

N-butyl-3-[[2-(4-phenoxyanilino)acetyl]amino]benzamide (PubChem CID 54812285) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-butyl-3-[[2-(4-phenoxyanilino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-butyl-3-[[2-(4-phenoxyanilino)acetyl]amino]benzamide
PubChem CID54812285
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC NameN-butyl-3-[[2-(4-phenoxyanilino)acetyl]amino]benzamide
SMILESCCCCNC(=O)c1cccc(NC(=O)CNc2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C25H27N3O3/c1-2-3-16-26-25(30)19-8-7-9-21(17-19)28-24(29)18-27-20-12-14-23(15-13-20)31-22-10-5-4-6-11-22/h4-15,17,27H,2-3,16,18H2,1H3,(H,26,30)(H,28,29)
InChIKeyGUIBEODWCWIOHT-UHFFFAOYSA-N
XLogP5.06
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.51
LogP ≤ 55.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54831919
N-butyl-3-[[2-oxo-2-[3-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide
CID 54834119
N-butyl-3-[[2-(3-propan-2-yloxyanilino)acetyl]amino]benzamide
CID 54830283
3-[[2-(4-butan-2-yloxyanilino)acetyl]amino]-N-butylbenzamide
CID 54830364
N-butyl-3-[[2-(4-prop-2-enoxyanilino)acetyl]amino]benzamide
CID 54821547
N-butyl-3-[[2-(4-chloroanilino)acetyl]amino]benzamide
CID 54810309
N-butyl-3-[[2-oxo-2-[3-(propylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54833572
4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]-N-butylbenzamide
CID 54832168
3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54831948
N-(3-acetylphenyl)-2-(4-phenoxyanilino)acetamide
CID 109009860
N-butyl-3-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54840640
N-benzyl-3-[[2-[3-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844588

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-[[2-(4-phenoxyanilino)acetyl]amino]benzamide?
The IUPAC name of N-butyl-3-[[2-(4-phenoxyanilino)acetyl]amino]benzamide (CID 54812285) is N-butyl-3-[[2-(4-phenoxyanilino)acetyl]amino]benzamide.
What is the SMILES notation for N-butyl-3-[[2-(4-phenoxyanilino)acetyl]amino]benzamide?
The canonical SMILES for N-butyl-3-[[2-(4-phenoxyanilino)acetyl]amino]benzamide is CCCCNC(=O)c1cccc(NC(=O)CNc2ccc(Oc3ccccc3)cc2)c1.
What is the InChIKey of N-butyl-3-[[2-(4-phenoxyanilino)acetyl]amino]benzamide?
The InChIKey is GUIBEODWCWIOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-2-3-16-26-25(30)19-8-7-9-21(17-19)28-24(29)18-27-20-12-14-23(15-13-20)31-22-10-5-4-6-11-22/h4-15,17,27H,2-3,16,18H2,1H3,(H,26,30)(H,28,29).
What are the key properties of N-butyl-3-[[2-(4-phenoxyanilino)acetyl]amino]benzamide?
N-butyl-3-[[2-(4-phenoxyanilino)acetyl]amino]benzamide has a molecular weight of 417.51 g/mol, XLogP of 5.06, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-[[2-(4-phenoxyanilino)acetyl]amino]benzamide is sourced from PubChem (CID 54812285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).