N-[4-[4-[[4-(4-acetamidophenoxy)phenyl]-diphenylmethyl]phenoxy]phenyl]acetamide

C41H34N2O4 — CID 3092398

IUPACN-[4-[4-[[4-(4-acetamidophenoxy)phenyl]-diphenylmethyl]phenoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2ccc(C(c3ccccc3)(c3ccccc3)c3ccc(Oc4ccc(NC(C)=O)cc4)cc3)cc2)cc1
InChIInChI=1S/C41H34N2O4/c1-29(44)42-35-17-25-39(26-18-35)46-37-21-13-33(14-22-37)41(31-9-5-3-6-10-31,32-11-7-4-8-12-32)34-15-23-38(24-16-34)47-40-27-19-36(20-28-40)43-30(2)45/h3-28H,1-2H3,(H,42,44)(H,43,45)
InChIKeyFMBWHWQUJFJRMC-UHFFFAOYSA-N
MW618.73 g/mol
LogP9.57
Rot. Bonds10

About N-[4-[4-[[4-(4-acetamidophenoxy)phenyl]-diphenylmethyl]phenoxy]phenyl]acetamide

N-[4-[4-[[4-(4-acetamidophenoxy)phenyl]-diphenylmethyl]phenoxy]phenyl]acetamide (PubChem CID 3092398) has the molecular formula C41H34N2O4 and a molecular weight of 618.73 g/mol. Its IUPAC name is N-[4-[4-[[4-(4-acetamidophenoxy)phenyl]-diphenylmethyl]phenoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[[4-(4-acetamidophenoxy)phenyl]-diphenylmethyl]phenoxy]phenyl]acetamide
PubChem CID3092398
Molecular FormulaC41H34N2O4
Molecular Weight618.73 g/mol
Exact Mass618.25
IUPAC NameN-[4-[4-[[4-(4-acetamidophenoxy)phenyl]-diphenylmethyl]phenoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2ccc(C(c3ccccc3)(c3ccccc3)c3ccc(Oc4ccc(NC(C)=O)cc4)cc3)cc2)cc1
InChIInChI=1S/C41H34N2O4/c1-29(44)42-35-17-25-39(26-18-35)46-37-21-13-33(14-22-37)41(31-9-5-3-6-10-31,32-11-7-4-8-12-32)34-15-23-38(24-16-34)47-40-27-19-36(20-28-40)43-30(2)45/h3-28H,1-2H3,(H,42,44)(H,43,45)
InChIKeyFMBWHWQUJFJRMC-UHFFFAOYSA-N
XLogP9.57
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.73
LogP ≤ 59.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[[4-(4-acetamidophenoxy)phenyl]-diphenylmethyl]phenoxy]phenyl]acetamide?
The IUPAC name of N-[4-[4-[[4-(4-acetamidophenoxy)phenyl]-diphenylmethyl]phenoxy]phenyl]acetamide (CID 3092398) is N-[4-[4-[[4-(4-acetamidophenoxy)phenyl]-diphenylmethyl]phenoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-[[4-(4-acetamidophenoxy)phenyl]-diphenylmethyl]phenoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[4-[[4-(4-acetamidophenoxy)phenyl]-diphenylmethyl]phenoxy]phenyl]acetamide is CC(=O)Nc1ccc(Oc2ccc(C(c3ccccc3)(c3ccccc3)c3ccc(Oc4ccc(NC(C)=O)cc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-[4-[[4-(4-acetamidophenoxy)phenyl]-diphenylmethyl]phenoxy]phenyl]acetamide?
The InChIKey is FMBWHWQUJFJRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H34N2O4/c1-29(44)42-35-17-25-39(26-18-35)46-37-21-13-33(14-22-37)41(31-9-5-3-6-10-31,32-11-7-4-8-12-32)34-15-23-38(24-16-34)47-40-27-19-36(20-28-40)43-30(2)45/h3-28H,1-2H3,(H,42,44)(H,43,45).
What are the key properties of N-[4-[4-[[4-(4-acetamidophenoxy)phenyl]-diphenylmethyl]phenoxy]phenyl]acetamide?
N-[4-[4-[[4-(4-acetamidophenoxy)phenyl]-diphenylmethyl]phenoxy]phenyl]acetamide has a molecular weight of 618.73 g/mol, XLogP of 9.57, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[[4-(4-acetamidophenoxy)phenyl]-diphenylmethyl]phenoxy]phenyl]acetamide is sourced from PubChem (CID 3092398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).