4-butoxy-N-[3-[(2-phenoxyacetyl)amino]phenyl]benzamide

C25H26N2O4 — CID 17231371

IUPAC4-butoxy-N-[3-[(2-phenoxyacetyl)amino]phenyl]benzamide
SMILESCCCCOc1ccc(C(=O)Nc2cccc(NC(=O)COc3ccccc3)c2)cc1
InChIInChI=1S/C25H26N2O4/c1-2-3-16-30-23-14-12-19(13-15-23)25(29)27-21-9-7-8-20(17-21)26-24(28)18-31-22-10-5-4-6-11-22/h4-15,17H,2-3,16,18H2,1H3,(H,26,28)(H,27,29)
InChIKeyUSPFHEWUVBJLLV-UHFFFAOYSA-N
MW418.49 g/mol
LogP5.14
Rot. Bonds10

About 4-butoxy-N-[3-[(2-phenoxyacetyl)amino]phenyl]benzamide

4-butoxy-N-[3-[(2-phenoxyacetyl)amino]phenyl]benzamide (PubChem CID 17231371) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is 4-butoxy-N-[3-[(2-phenoxyacetyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[3-[(2-phenoxyacetyl)amino]phenyl]benzamide
PubChem CID17231371
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC Name4-butoxy-N-[3-[(2-phenoxyacetyl)amino]phenyl]benzamide
SMILESCCCCOc1ccc(C(=O)Nc2cccc(NC(=O)COc3ccccc3)c2)cc1
InChIInChI=1S/C25H26N2O4/c1-2-3-16-30-23-14-12-19(13-15-23)25(29)27-21-9-7-8-20(17-21)26-24(28)18-31-22-10-5-4-6-11-22/h4-15,17H,2-3,16,18H2,1H3,(H,26,28)(H,27,29)
InChIKeyUSPFHEWUVBJLLV-UHFFFAOYSA-N
XLogP5.14
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.49
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-phenoxyethoxy)-N-[3-(propanoylamino)phenyl]benzamide
CID 17188307
4-butoxy-N-[3-(hexanoylamino)phenyl]benzamide
CID 26161284
4-hexoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123562
N-[3-(hexanoylamino)phenyl]-4-propoxybenzamide
CID 26161290
4-(2-anilino-2-oxoethoxy)-N-phenylbenzamide
CID 10545541
N-[3-(2-phenoxyethoxy)phenyl]-4-propoxybenzamide
CID 17123567
4-butoxy-N-(3-hexoxyphenyl)benzamide
CID 17094812
N-[3-(hexanoylamino)phenyl]-4-(2-methoxyethoxy)benzamide
CID 26161346
2-(3-pentoxyphenoxy)-N-phenylacetamide
CID 4733221
N-(4-benzamidophenyl)-4-butoxybenzamide
CID 17235408
3-[(4-hexoxybenzoyl)amino]benzoic acid
CID 45425945
N-[3-(3-phenylpropanoylamino)phenyl]-4-propoxybenzamide
CID 17222902

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[3-[(2-phenoxyacetyl)amino]phenyl]benzamide?
The IUPAC name of 4-butoxy-N-[3-[(2-phenoxyacetyl)amino]phenyl]benzamide (CID 17231371) is 4-butoxy-N-[3-[(2-phenoxyacetyl)amino]phenyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[3-[(2-phenoxyacetyl)amino]phenyl]benzamide?
The canonical SMILES for 4-butoxy-N-[3-[(2-phenoxyacetyl)amino]phenyl]benzamide is CCCCOc1ccc(C(=O)Nc2cccc(NC(=O)COc3ccccc3)c2)cc1.
What is the InChIKey of 4-butoxy-N-[3-[(2-phenoxyacetyl)amino]phenyl]benzamide?
The InChIKey is USPFHEWUVBJLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-2-3-16-30-23-14-12-19(13-15-23)25(29)27-21-9-7-8-20(17-21)26-24(28)18-31-22-10-5-4-6-11-22/h4-15,17H,2-3,16,18H2,1H3,(H,26,28)(H,27,29).
What are the key properties of 4-butoxy-N-[3-[(2-phenoxyacetyl)amino]phenyl]benzamide?
4-butoxy-N-[3-[(2-phenoxyacetyl)amino]phenyl]benzamide has a molecular weight of 418.49 g/mol, XLogP of 5.14, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[3-[(2-phenoxyacetyl)amino]phenyl]benzamide is sourced from PubChem (CID 17231371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).