4-butoxy-N-[4-(2-phenylethoxy)phenyl]benzamide

C25H27NO3 — CID 17066999

IUPAC4-butoxy-N-[4-(2-phenylethoxy)phenyl]benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc(OCCc3ccccc3)cc2)cc1
InChIInChI=1S/C25H27NO3/c1-2-3-18-28-23-13-9-21(10-14-23)25(27)26-22-11-15-24(16-12-22)29-19-17-20-7-5-4-6-8-20/h4-16H,2-3,17-19H2,1H3,(H,26,27)
InChIKeyUKWIDNBCTWNTQY-UHFFFAOYSA-N
MW389.50 g/mol
LogP5.74
Rot. Bonds10

About 4-butoxy-N-[4-(2-phenylethoxy)phenyl]benzamide

4-butoxy-N-[4-(2-phenylethoxy)phenyl]benzamide (PubChem CID 17066999) has the molecular formula C25H27NO3 and a molecular weight of 389.50 g/mol. Its IUPAC name is 4-butoxy-N-[4-(2-phenylethoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[4-(2-phenylethoxy)phenyl]benzamide
PubChem CID17066999
Molecular FormulaC25H27NO3
Molecular Weight389.50 g/mol
Exact Mass389.20
IUPAC Name4-butoxy-N-[4-(2-phenylethoxy)phenyl]benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc(OCCc3ccccc3)cc2)cc1
InChIInChI=1S/C25H27NO3/c1-2-3-18-28-23-13-9-21(10-14-23)25(27)26-22-11-15-24(16-12-22)29-19-17-20-7-5-4-6-8-20/h4-16H,2-3,17-19H2,1H3,(H,26,27)
InChIKeyUKWIDNBCTWNTQY-UHFFFAOYSA-N
XLogP5.74
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-N-[4-(3-phenylpropoxy)phenyl]benzamide
CID 17130195
N-(4-benzamidophenyl)-4-butoxybenzamide
CID 17235408
N-[4-[[[4-(2-phenylethoxy)benzoyl]amino]carbamoyl]phenyl]pentanamide
CID 4956680
3-bromo-4-butoxy-N-[4-(2-phenylethoxy)phenyl]benzamide
CID 17067024
N-[4-(3-phenylpropoxy)phenyl]benzamide
CID 17130114
4-heptoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 4950725
4-heptoxy-N-[[4-(2-phenylethoxy)phenyl]carbamothioyl]benzamide
CID 17067139
N-[4-(3-phenylpropanoylamino)phenyl]-4-propoxybenzamide
CID 17233570
N-(4-butoxyphenyl)-2-(2-phenylethoxy)benzamide
CID 19628186
4-butoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 4936114
N-(4-pentoxyphenyl)-4-phenoxybenzamide
CID 5048433
N-benzyl-4-[(4-heptoxybenzoyl)amino]benzamide
CID 43887413

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[4-(2-phenylethoxy)phenyl]benzamide?
The IUPAC name of 4-butoxy-N-[4-(2-phenylethoxy)phenyl]benzamide (CID 17066999) is 4-butoxy-N-[4-(2-phenylethoxy)phenyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[4-(2-phenylethoxy)phenyl]benzamide?
The canonical SMILES for 4-butoxy-N-[4-(2-phenylethoxy)phenyl]benzamide is CCCCOc1ccc(C(=O)Nc2ccc(OCCc3ccccc3)cc2)cc1.
What is the InChIKey of 4-butoxy-N-[4-(2-phenylethoxy)phenyl]benzamide?
The InChIKey is UKWIDNBCTWNTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO3/c1-2-3-18-28-23-13-9-21(10-14-23)25(27)26-22-11-15-24(16-12-22)29-19-17-20-7-5-4-6-8-20/h4-16H,2-3,17-19H2,1H3,(H,26,27).
What are the key properties of 4-butoxy-N-[4-(2-phenylethoxy)phenyl]benzamide?
4-butoxy-N-[4-(2-phenylethoxy)phenyl]benzamide has a molecular weight of 389.50 g/mol, XLogP of 5.74, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[4-(2-phenylethoxy)phenyl]benzamide is sourced from PubChem (CID 17066999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).