N-benzyl-4-[2-(methoxymethoxy)-4-phenylphenyl]benzamide

C28H25NO3 — CID 10477397

IUPACN-benzyl-4-[2-(methoxymethoxy)-4-phenylphenyl]benzamide
SMILESCOCOc1cc(-c2ccccc2)ccc1-c1ccc(C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C28H25NO3/c1-31-20-32-27-18-25(22-10-6-3-7-11-22)16-17-26(27)23-12-14-24(15-13-23)28(30)29-19-21-8-4-2-5-9-21/h2-18H,19-20H2,1H3,(H,29,30)
InChIKeyPRTKQGBTOIDYLQ-UHFFFAOYSA-N
MW423.51 g/mol
LogP5.93
Rot. Bonds8

About N-benzyl-4-[2-(methoxymethoxy)-4-phenylphenyl]benzamide

N-benzyl-4-[2-(methoxymethoxy)-4-phenylphenyl]benzamide (PubChem CID 10477397) has the molecular formula C28H25NO3 and a molecular weight of 423.51 g/mol. Its IUPAC name is N-benzyl-4-[2-(methoxymethoxy)-4-phenylphenyl]benzamide.

Molecular Properties

Compound NameN-benzyl-4-[2-(methoxymethoxy)-4-phenylphenyl]benzamide
PubChem CID10477397
Molecular FormulaC28H25NO3
Molecular Weight423.51 g/mol
Exact Mass423.18
IUPAC NameN-benzyl-4-[2-(methoxymethoxy)-4-phenylphenyl]benzamide
SMILESCOCOc1cc(-c2ccccc2)ccc1-c1ccc(C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C28H25NO3/c1-31-20-32-27-18-25(22-10-6-3-7-11-22)16-17-26(27)23-12-14-24(15-13-23)28(30)29-19-21-8-4-2-5-9-21/h2-18H,19-20H2,1H3,(H,29,30)
InChIKeyPRTKQGBTOIDYLQ-UHFFFAOYSA-N
XLogP5.93
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.51
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[2-(methoxymethoxy)-4-phenylphenyl]benzamide?
The IUPAC name of N-benzyl-4-[2-(methoxymethoxy)-4-phenylphenyl]benzamide (CID 10477397) is N-benzyl-4-[2-(methoxymethoxy)-4-phenylphenyl]benzamide.
What is the SMILES notation for N-benzyl-4-[2-(methoxymethoxy)-4-phenylphenyl]benzamide?
The canonical SMILES for N-benzyl-4-[2-(methoxymethoxy)-4-phenylphenyl]benzamide is COCOc1cc(-c2ccccc2)ccc1-c1ccc(C(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-4-[2-(methoxymethoxy)-4-phenylphenyl]benzamide?
The InChIKey is PRTKQGBTOIDYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NO3/c1-31-20-32-27-18-25(22-10-6-3-7-11-22)16-17-26(27)23-12-14-24(15-13-23)28(30)29-19-21-8-4-2-5-9-21/h2-18H,19-20H2,1H3,(H,29,30).
What are the key properties of N-benzyl-4-[2-(methoxymethoxy)-4-phenylphenyl]benzamide?
N-benzyl-4-[2-(methoxymethoxy)-4-phenylphenyl]benzamide has a molecular weight of 423.51 g/mol, XLogP of 5.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[2-(methoxymethoxy)-4-phenylphenyl]benzamide is sourced from PubChem (CID 10477397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).