4-(2-phenylethoxy)-N-[2-[[4-(2-phenylethoxy)benzoyl]amino]phenyl]benzamide

C36H32N2O4 — CID 4957348

IUPAC4-(2-phenylethoxy)-N-[2-[[4-(2-phenylethoxy)benzoyl]amino]phenyl]benzamide
SMILESO=C(Nc1ccccc1NC(=O)c1ccc(OCCc2ccccc2)cc1)c1ccc(OCCc2ccccc2)cc1
InChIInChI=1S/C36H32N2O4/c39-35(29-15-19-31(20-16-29)41-25-23-27-9-3-1-4-10-27)37-33-13-7-8-14-34(33)38-36(40)30-17-21-32(22-18-30)42-26-24-28-11-5-2-6-12-28/h1-22H,23-26H2,(H,37,39)(H,38,40)
InChIKeyJPXOSYYDPBHJIP-UHFFFAOYSA-N
MW556.66 g/mol
LogP7.43
Rot. Bonds12

About 4-(2-phenylethoxy)-N-[2-[[4-(2-phenylethoxy)benzoyl]amino]phenyl]benzamide

4-(2-phenylethoxy)-N-[2-[[4-(2-phenylethoxy)benzoyl]amino]phenyl]benzamide (PubChem CID 4957348) has the molecular formula C36H32N2O4 and a molecular weight of 556.66 g/mol. Its IUPAC name is 4-(2-phenylethoxy)-N-[2-[[4-(2-phenylethoxy)benzoyl]amino]phenyl]benzamide.

Molecular Properties

Compound Name4-(2-phenylethoxy)-N-[2-[[4-(2-phenylethoxy)benzoyl]amino]phenyl]benzamide
PubChem CID4957348
Molecular FormulaC36H32N2O4
Molecular Weight556.66 g/mol
Exact Mass556.24
IUPAC Name4-(2-phenylethoxy)-N-[2-[[4-(2-phenylethoxy)benzoyl]amino]phenyl]benzamide
SMILESO=C(Nc1ccccc1NC(=O)c1ccc(OCCc2ccccc2)cc1)c1ccc(OCCc2ccccc2)cc1
InChIInChI=1S/C36H32N2O4/c39-35(29-15-19-31(20-16-29)41-25-23-27-9-3-1-4-10-27)37-33-13-7-8-14-34(33)38-36(40)30-17-21-32(22-18-30)42-26-24-28-11-5-2-6-12-28/h1-22H,23-26H2,(H,37,39)(H,38,40)
InChIKeyJPXOSYYDPBHJIP-UHFFFAOYSA-N
XLogP7.43
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.66
LogP ≤ 57.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[[4-(2-phenylethoxy)benzoyl]amino]benzamide
CID 17354045
4-butoxy-N-[4-(2-phenylethoxy)phenyl]benzamide
CID 17066999
2-[[4-(2-phenylethoxy)benzoyl]amino]acetic acid
CID 66812668
N-benzyl-2-[[4-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 4952787
N'-(4-chlorobenzoyl)-4-(2-phenylethoxy)benzohydrazide
CID 4956611
N-(3,4-dichlorophenyl)-4-(2-phenylethoxy)benzamide
CID 4956327
4-(2-phenylethoxy)-N-(1,3-thiazol-2-yl)benzamide
CID 4956346
N-(phenylcarbamothioyl)-4-(2-phenylethoxy)benzamide
CID 4956814
4-ethoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide
CID 17131440
N-[3-(2-methoxyethoxy)phenyl]-4-(2-phenylethoxy)benzamide
CID 17169886
4-(2-phenylethoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 4956301
N-[4-(3-phenylpropoxy)phenyl]benzamide
CID 17130114

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethoxy)-N-[2-[[4-(2-phenylethoxy)benzoyl]amino]phenyl]benzamide?
The IUPAC name of 4-(2-phenylethoxy)-N-[2-[[4-(2-phenylethoxy)benzoyl]amino]phenyl]benzamide (CID 4957348) is 4-(2-phenylethoxy)-N-[2-[[4-(2-phenylethoxy)benzoyl]amino]phenyl]benzamide.
What is the SMILES notation for 4-(2-phenylethoxy)-N-[2-[[4-(2-phenylethoxy)benzoyl]amino]phenyl]benzamide?
The canonical SMILES for 4-(2-phenylethoxy)-N-[2-[[4-(2-phenylethoxy)benzoyl]amino]phenyl]benzamide is O=C(Nc1ccccc1NC(=O)c1ccc(OCCc2ccccc2)cc1)c1ccc(OCCc2ccccc2)cc1.
What is the InChIKey of 4-(2-phenylethoxy)-N-[2-[[4-(2-phenylethoxy)benzoyl]amino]phenyl]benzamide?
The InChIKey is JPXOSYYDPBHJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32N2O4/c39-35(29-15-19-31(20-16-29)41-25-23-27-9-3-1-4-10-27)37-33-13-7-8-14-34(33)38-36(40)30-17-21-32(22-18-30)42-26-24-28-11-5-2-6-12-28/h1-22H,23-26H2,(H,37,39)(H,38,40).
What are the key properties of 4-(2-phenylethoxy)-N-[2-[[4-(2-phenylethoxy)benzoyl]amino]phenyl]benzamide?
4-(2-phenylethoxy)-N-[2-[[4-(2-phenylethoxy)benzoyl]amino]phenyl]benzamide has a molecular weight of 556.66 g/mol, XLogP of 7.43, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethoxy)-N-[2-[[4-(2-phenylethoxy)benzoyl]amino]phenyl]benzamide is sourced from PubChem (CID 4957348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).