N-[4-[4-[1-[4-(4-acetamidophenoxy)phenyl]-1-phenylethyl]phenoxy]phenyl]acetamide

C36H32N2O4 — CID 51064300

IUPACN-[4-[4-[1-[4-(4-acetamidophenoxy)phenyl]-1-phenylethyl]phenoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2ccc(C(C)(c3ccccc3)c3ccc(Oc4ccc(NC(C)=O)cc4)cc3)cc2)cc1
InChIInChI=1S/C36H32N2O4/c1-25(39)37-30-13-21-34(22-14-30)41-32-17-9-28(10-18-32)36(3,27-7-5-4-6-8-27)29-11-19-33(20-12-29)42-35-23-15-31(16-24-35)38-26(2)40/h4-24H,1-3H3,(H,37,39)(H,38,40)
InChIKeyPYFCDCAXWOWBIP-UHFFFAOYSA-N
MW556.66 g/mol
LogP8.54
Rot. Bonds9

About N-[4-[4-[1-[4-(4-acetamidophenoxy)phenyl]-1-phenylethyl]phenoxy]phenyl]acetamide

N-[4-[4-[1-[4-(4-acetamidophenoxy)phenyl]-1-phenylethyl]phenoxy]phenyl]acetamide (PubChem CID 51064300) has the molecular formula C36H32N2O4 and a molecular weight of 556.66 g/mol. Its IUPAC name is N-[4-[4-[1-[4-(4-acetamidophenoxy)phenyl]-1-phenylethyl]phenoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[1-[4-(4-acetamidophenoxy)phenyl]-1-phenylethyl]phenoxy]phenyl]acetamide
PubChem CID51064300
Molecular FormulaC36H32N2O4
Molecular Weight556.66 g/mol
Exact Mass556.24
IUPAC NameN-[4-[4-[1-[4-(4-acetamidophenoxy)phenyl]-1-phenylethyl]phenoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2ccc(C(C)(c3ccccc3)c3ccc(Oc4ccc(NC(C)=O)cc4)cc3)cc2)cc1
InChIInChI=1S/C36H32N2O4/c1-25(39)37-30-13-21-34(22-14-30)41-32-17-9-28(10-18-32)36(3,27-7-5-4-6-8-27)29-11-19-33(20-12-29)42-35-23-15-31(16-24-35)38-26(2)40/h4-24H,1-3H3,(H,37,39)(H,38,40)
InChIKeyPYFCDCAXWOWBIP-UHFFFAOYSA-N
XLogP8.54
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.66
LogP ≤ 58.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-[4-[1-[4-(4-acetamidophenoxy)phenyl]-1-phenylethyl]phenoxy]phenyl]acetamide with MolForge

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Related Compounds

phenoxybenzene;N-phenylacetamide
CID 174350344
N-(4-acetamidophenyl)-4-phenoxybenzamide
CID 16651566
4-tert-butyl-N-(4-phenoxyphenyl)benzamide
CID 675709
bis[4-[1-(4-phenoxycarbonyloxyphenyl)-1-phenylethyl]phenyl] carbonate
CID 146554941
4-(2-methoxypropan-2-yl)-N-(4-phenoxyphenyl)benzamide
CID 142594961
2-oxo-N-(4-phenoxyphenyl)propanamide
CID 115175317
3,4-dichloro-N-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]benzamide
CID 4507863
2-(4-acetamidophenoxy)-N-(4-phenoxyphenyl)acetamide
CID 2471722
5-oxo-5-[4-[4-(2-phenylpropan-2-yl)phenoxy]anilino]pentanoic acid
CID 4178212
4-phenyl-N-[4-[4-[2-[4-[4-[(4-phenylbenzoyl)amino]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]benzamide
CID 19577181
(2S)-N-(4-acetamidophenyl)-2-(4-phenoxyanilino)propanamide
CID 7830436
N-(4-pyridin-4-yloxyphenyl)acetamide
CID 49363593

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[1-[4-(4-acetamidophenoxy)phenyl]-1-phenylethyl]phenoxy]phenyl]acetamide?
The IUPAC name of N-[4-[4-[1-[4-(4-acetamidophenoxy)phenyl]-1-phenylethyl]phenoxy]phenyl]acetamide (CID 51064300) is N-[4-[4-[1-[4-(4-acetamidophenoxy)phenyl]-1-phenylethyl]phenoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-[1-[4-(4-acetamidophenoxy)phenyl]-1-phenylethyl]phenoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[4-[1-[4-(4-acetamidophenoxy)phenyl]-1-phenylethyl]phenoxy]phenyl]acetamide is CC(=O)Nc1ccc(Oc2ccc(C(C)(c3ccccc3)c3ccc(Oc4ccc(NC(C)=O)cc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-[4-[1-[4-(4-acetamidophenoxy)phenyl]-1-phenylethyl]phenoxy]phenyl]acetamide?
The InChIKey is PYFCDCAXWOWBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32N2O4/c1-25(39)37-30-13-21-34(22-14-30)41-32-17-9-28(10-18-32)36(3,27-7-5-4-6-8-27)29-11-19-33(20-12-29)42-35-23-15-31(16-24-35)38-26(2)40/h4-24H,1-3H3,(H,37,39)(H,38,40).
What are the key properties of N-[4-[4-[1-[4-(4-acetamidophenoxy)phenyl]-1-phenylethyl]phenoxy]phenyl]acetamide?
N-[4-[4-[1-[4-(4-acetamidophenoxy)phenyl]-1-phenylethyl]phenoxy]phenyl]acetamide has a molecular weight of 556.66 g/mol, XLogP of 8.54, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[1-[4-(4-acetamidophenoxy)phenyl]-1-phenylethyl]phenoxy]phenyl]acetamide is sourced from PubChem (CID 51064300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).