2-hexoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide

C28H33NO3 — CID 17131458

IUPAC2-hexoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide
SMILESCCCCCCOc1ccccc1C(=O)Nc1ccccc1OCCCc1ccccc1
InChIInChI=1S/C28H33NO3/c1-2-3-4-12-21-31-26-19-10-8-17-24(26)28(30)29-25-18-9-11-20-27(25)32-22-13-16-23-14-6-5-7-15-23/h5-11,14-15,17-20H,2-4,12-13,16,21-22H2,1H3,(H,29,30)
InChIKeyXPJVFWGVVVVVRB-UHFFFAOYSA-N
MW431.58 g/mol
LogP6.91
Rot. Bonds13

About 2-hexoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide

2-hexoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide (PubChem CID 17131458) has the molecular formula C28H33NO3 and a molecular weight of 431.58 g/mol. Its IUPAC name is 2-hexoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide.

Molecular Properties

Compound Name2-hexoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide
PubChem CID17131458
Molecular FormulaC28H33NO3
Molecular Weight431.58 g/mol
Exact Mass431.25
IUPAC Name2-hexoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide
SMILESCCCCCCOc1ccccc1C(=O)Nc1ccccc1OCCCc1ccccc1
InChIInChI=1S/C28H33NO3/c1-2-3-4-12-21-31-26-19-10-8-17-24(26)28(30)29-25-18-9-11-20-27(25)32-22-13-16-23-14-6-5-7-15-23/h5-11,14-15,17-20H,2-4,12-13,16,21-22H2,1H3,(H,29,30)
InChIKeyXPJVFWGVVVVVRB-UHFFFAOYSA-N
XLogP6.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.58
LogP ≤ 56.91
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

2-(2-methylprop-2-enoxy)-N-[2-(3-phenylpropoxy)phenyl]benzamide
CID 17131528
5-bromo-2-butoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide
CID 17131495
N-methyl-2-[(2-pentoxybenzoyl)amino]benzamide
CID 17354032
2-[(2-pentoxybenzoyl)amino]benzamide
CID 4946529
N-[2-(3-aminopropyl)phenyl]-2-dodecoxybenzamide
CID 54404494
2-hexoxy-N-[[4-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide
CID 17130333
2-[(2-hexadecoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 51001704
2-[(2-docosoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 51001703
2-[(2-octadecoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 51001702
N-hydroxy-2-tetradecoxybenzamide
CID 18962633
N-(4-butoxyphenyl)-2-(2-phenylethoxy)benzamide
CID 19628186
4-ethoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide
CID 17131440

Frequently Asked Questions

What is the IUPAC name of 2-hexoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide?
The IUPAC name of 2-hexoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide (CID 17131458) is 2-hexoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide.
What is the SMILES notation for 2-hexoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide?
The canonical SMILES for 2-hexoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide is CCCCCCOc1ccccc1C(=O)Nc1ccccc1OCCCc1ccccc1.
What is the InChIKey of 2-hexoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide?
The InChIKey is XPJVFWGVVVVVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33NO3/c1-2-3-4-12-21-31-26-19-10-8-17-24(26)28(30)29-25-18-9-11-20-27(25)32-22-13-16-23-14-6-5-7-15-23/h5-11,14-15,17-20H,2-4,12-13,16,21-22H2,1H3,(H,29,30).
What are the key properties of 2-hexoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide?
2-hexoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide has a molecular weight of 431.58 g/mol, XLogP of 6.91, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide is sourced from PubChem (CID 17131458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).