N-[4-[4-[2-[3-(4-benzamidophenoxy)phenyl]propan-2-yl]phenoxy]phenyl]benzamide

C41H34N2O4 — CID 45489158

IUPACN-[4-[4-[2-[3-(4-benzamidophenoxy)phenyl]propan-2-yl]phenoxy]phenyl]benzamide
SMILESCC(C)(c1ccc(Oc2ccc(NC(=O)c3ccccc3)cc2)cc1)c1cccc(Oc2ccc(NC(=O)c3ccccc3)cc2)c1
InChIInChI=1S/C41H34N2O4/c1-41(2,31-16-22-35(23-17-31)46-36-24-18-33(19-25-36)42-39(44)29-10-5-3-6-11-29)32-14-9-15-38(28-32)47-37-26-20-34(21-27-37)43-40(45)30-12-7-4-8-13-30/h3-28H,1-2H3,(H,42,44)(H,43,45)
InChIKeyRPXQHMKFMABLDC-UHFFFAOYSA-N
MW618.73 g/mol
LogP10.10
Rot. Bonds10

About N-[4-[4-[2-[3-(4-benzamidophenoxy)phenyl]propan-2-yl]phenoxy]phenyl]benzamide

N-[4-[4-[2-[3-(4-benzamidophenoxy)phenyl]propan-2-yl]phenoxy]phenyl]benzamide (PubChem CID 45489158) has the molecular formula C41H34N2O4 and a molecular weight of 618.73 g/mol. Its IUPAC name is N-[4-[4-[2-[3-(4-benzamidophenoxy)phenyl]propan-2-yl]phenoxy]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[4-[2-[3-(4-benzamidophenoxy)phenyl]propan-2-yl]phenoxy]phenyl]benzamide
PubChem CID45489158
Molecular FormulaC41H34N2O4
Molecular Weight618.73 g/mol
Exact Mass618.25
IUPAC NameN-[4-[4-[2-[3-(4-benzamidophenoxy)phenyl]propan-2-yl]phenoxy]phenyl]benzamide
SMILESCC(C)(c1ccc(Oc2ccc(NC(=O)c3ccccc3)cc2)cc1)c1cccc(Oc2ccc(NC(=O)c3ccccc3)cc2)c1
InChIInChI=1S/C41H34N2O4/c1-41(2,31-16-22-35(23-17-31)46-36-24-18-33(19-25-36)42-39(44)29-10-5-3-6-11-29)32-14-9-15-38(28-32)47-37-26-20-34(21-27-37)43-40(45)30-12-7-4-8-13-30/h3-28H,1-2H3,(H,42,44)(H,43,45)
InChIKeyRPXQHMKFMABLDC-UHFFFAOYSA-N
XLogP10.10
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 ≤ 510.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[2-[3-(4-benzamidophenoxy)phenyl]propan-2-yl]phenoxy]phenyl]benzamide?
The IUPAC name of N-[4-[4-[2-[3-(4-benzamidophenoxy)phenyl]propan-2-yl]phenoxy]phenyl]benzamide (CID 45489158) is N-[4-[4-[2-[3-(4-benzamidophenoxy)phenyl]propan-2-yl]phenoxy]phenyl]benzamide.
What is the SMILES notation for N-[4-[4-[2-[3-(4-benzamidophenoxy)phenyl]propan-2-yl]phenoxy]phenyl]benzamide?
The canonical SMILES for N-[4-[4-[2-[3-(4-benzamidophenoxy)phenyl]propan-2-yl]phenoxy]phenyl]benzamide is CC(C)(c1ccc(Oc2ccc(NC(=O)c3ccccc3)cc2)cc1)c1cccc(Oc2ccc(NC(=O)c3ccccc3)cc2)c1.
What is the InChIKey of N-[4-[4-[2-[3-(4-benzamidophenoxy)phenyl]propan-2-yl]phenoxy]phenyl]benzamide?
The InChIKey is RPXQHMKFMABLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H34N2O4/c1-41(2,31-16-22-35(23-17-31)46-36-24-18-33(19-25-36)42-39(44)29-10-5-3-6-11-29)32-14-9-15-38(28-32)47-37-26-20-34(21-27-37)43-40(45)30-12-7-4-8-13-30/h3-28H,1-2H3,(H,42,44)(H,43,45).
What are the key properties of N-[4-[4-[2-[3-(4-benzamidophenoxy)phenyl]propan-2-yl]phenoxy]phenyl]benzamide?
N-[4-[4-[2-[3-(4-benzamidophenoxy)phenyl]propan-2-yl]phenoxy]phenyl]benzamide has a molecular weight of 618.73 g/mol, XLogP of 10.10, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[2-[3-(4-benzamidophenoxy)phenyl]propan-2-yl]phenoxy]phenyl]benzamide is sourced from PubChem (CID 45489158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).