4-butoxy-N-[4-(3-phenylpropoxy)phenyl]benzamide

C26H29NO3 — CID 17130195

IUPAC4-butoxy-N-[4-(3-phenylpropoxy)phenyl]benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc(OCCCc3ccccc3)cc2)cc1
InChIInChI=1S/C26H29NO3/c1-2-3-19-29-24-15-11-22(12-16-24)26(28)27-23-13-17-25(18-14-23)30-20-7-10-21-8-5-4-6-9-21/h4-6,8-9,11-18H,2-3,7,10,19-20H2,1H3,(H,27,28)
InChIKeyYVZNLDCABNIZOZ-UHFFFAOYSA-N
MW403.52 g/mol
LogP6.13
Rot. Bonds11

About 4-butoxy-N-[4-(3-phenylpropoxy)phenyl]benzamide

4-butoxy-N-[4-(3-phenylpropoxy)phenyl]benzamide (PubChem CID 17130195) has the molecular formula C26H29NO3 and a molecular weight of 403.52 g/mol. Its IUPAC name is 4-butoxy-N-[4-(3-phenylpropoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[4-(3-phenylpropoxy)phenyl]benzamide
PubChem CID17130195
Molecular FormulaC26H29NO3
Molecular Weight403.52 g/mol
Exact Mass403.21
IUPAC Name4-butoxy-N-[4-(3-phenylpropoxy)phenyl]benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc(OCCCc3ccccc3)cc2)cc1
InChIInChI=1S/C26H29NO3/c1-2-3-19-29-24-15-11-22(12-16-24)26(28)27-23-13-17-25(18-14-23)30-20-7-10-21-8-5-4-6-9-21/h4-6,8-9,11-18H,2-3,7,10,19-20H2,1H3,(H,27,28)
InChIKeyYVZNLDCABNIZOZ-UHFFFAOYSA-N
XLogP6.13
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.52
LogP ≤ 56.13
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-(2-phenylethoxy)phenyl]benzamide
CID 17066999
N-[4-(3-phenylpropoxy)phenyl]benzamide
CID 17130114
N-(4-benzamidophenyl)-4-butoxybenzamide
CID 17235408
4-heptoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 4950725
N-[4-(3-phenylpropanoylamino)phenyl]-4-propoxybenzamide
CID 17233570
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
N-butyl-4-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]benzamide
CID 54825518
N-[4-[[[4-(2-phenylethoxy)benzoyl]amino]carbamoyl]phenyl]pentanamide
CID 4956680
N-benzyl-4-[(4-propoxybenzoyl)amino]benzamide
CID 28639944
4-[(4-butoxybenzoyl)amino]-N-methylbenzamide
CID 9164625

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[4-(3-phenylpropoxy)phenyl]benzamide?
The IUPAC name of 4-butoxy-N-[4-(3-phenylpropoxy)phenyl]benzamide (CID 17130195) is 4-butoxy-N-[4-(3-phenylpropoxy)phenyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[4-(3-phenylpropoxy)phenyl]benzamide?
The canonical SMILES for 4-butoxy-N-[4-(3-phenylpropoxy)phenyl]benzamide is CCCCOc1ccc(C(=O)Nc2ccc(OCCCc3ccccc3)cc2)cc1.
What is the InChIKey of 4-butoxy-N-[4-(3-phenylpropoxy)phenyl]benzamide?
The InChIKey is YVZNLDCABNIZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO3/c1-2-3-19-29-24-15-11-22(12-16-24)26(28)27-23-13-17-25(18-14-23)30-20-7-10-21-8-5-4-6-9-21/h4-6,8-9,11-18H,2-3,7,10,19-20H2,1H3,(H,27,28).
What are the key properties of 4-butoxy-N-[4-(3-phenylpropoxy)phenyl]benzamide?
4-butoxy-N-[4-(3-phenylpropoxy)phenyl]benzamide has a molecular weight of 403.52 g/mol, XLogP of 6.13, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[4-(3-phenylpropoxy)phenyl]benzamide is sourced from PubChem (CID 17130195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).