2-phenyl-2-(3-phenylpropoxy)-N-(3-phenylpropyl)butanamide

C28H33NO2 — CID 11373377

IUPAC2-phenyl-2-(3-phenylpropoxy)-N-(3-phenylpropyl)butanamide
SMILESCCC(OCCCc1ccccc1)(C(=O)NCCCc1ccccc1)c1ccccc1
InChIInChI=1S/C28H33NO2/c1-2-28(26-20-10-5-11-21-26,31-23-13-19-25-16-8-4-9-17-25)27(30)29-22-12-18-24-14-6-3-7-15-24/h3-11,14-17,20-21H,2,12-13,18-19,22-23H2,1H3,(H,29,30)
InChIKeyVMGOPYGPNOSTAJ-UHFFFAOYSA-N
MW415.58 g/mol
LogP5.69
Rot. Bonds12

About 2-phenyl-2-(3-phenylpropoxy)-N-(3-phenylpropyl)butanamide

2-phenyl-2-(3-phenylpropoxy)-N-(3-phenylpropyl)butanamide (PubChem CID 11373377) has the molecular formula C28H33NO2 and a molecular weight of 415.58 g/mol. Its IUPAC name is 2-phenyl-2-(3-phenylpropoxy)-N-(3-phenylpropyl)butanamide.

Molecular Properties

Compound Name2-phenyl-2-(3-phenylpropoxy)-N-(3-phenylpropyl)butanamide
PubChem CID11373377
Molecular FormulaC28H33NO2
Molecular Weight415.58 g/mol
Exact Mass415.25
IUPAC Name2-phenyl-2-(3-phenylpropoxy)-N-(3-phenylpropyl)butanamide
SMILESCCC(OCCCc1ccccc1)(C(=O)NCCCc1ccccc1)c1ccccc1
InChIInChI=1S/C28H33NO2/c1-2-28(26-20-10-5-11-21-26,31-23-13-19-25-16-8-4-9-17-25)27(30)29-22-12-18-24-14-6-3-7-15-24/h3-11,14-17,20-21H,2,12-13,18-19,22-23H2,1H3,(H,29,30)
InChIKeyVMGOPYGPNOSTAJ-UHFFFAOYSA-N
XLogP5.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.58
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-(3-phenylpropoxy)-N-(3-phenylpropyl)butanamide?
The IUPAC name of 2-phenyl-2-(3-phenylpropoxy)-N-(3-phenylpropyl)butanamide (CID 11373377) is 2-phenyl-2-(3-phenylpropoxy)-N-(3-phenylpropyl)butanamide.
What is the SMILES notation for 2-phenyl-2-(3-phenylpropoxy)-N-(3-phenylpropyl)butanamide?
The canonical SMILES for 2-phenyl-2-(3-phenylpropoxy)-N-(3-phenylpropyl)butanamide is CCC(OCCCc1ccccc1)(C(=O)NCCCc1ccccc1)c1ccccc1.
What is the InChIKey of 2-phenyl-2-(3-phenylpropoxy)-N-(3-phenylpropyl)butanamide?
The InChIKey is VMGOPYGPNOSTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33NO2/c1-2-28(26-20-10-5-11-21-26,31-23-13-19-25-16-8-4-9-17-25)27(30)29-22-12-18-24-14-6-3-7-15-24/h3-11,14-17,20-21H,2,12-13,18-19,22-23H2,1H3,(H,29,30).
What are the key properties of 2-phenyl-2-(3-phenylpropoxy)-N-(3-phenylpropyl)butanamide?
2-phenyl-2-(3-phenylpropoxy)-N-(3-phenylpropyl)butanamide has a molecular weight of 415.58 g/mol, XLogP of 5.69, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-(3-phenylpropoxy)-N-(3-phenylpropyl)butanamide is sourced from PubChem (CID 11373377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).