2-[4-(4-hydroxyphenoxy)phenyl]-N-(2-methylphenyl)acetamide;N-(2-methylphenyl)-2-[4-(4-phenylmethoxyphenoxy)phenyl]acetamide

C49H44N2O6 — CID 157150851

IUPAC2-[4-(4-hydroxyphenoxy)phenyl]-N-(2-methylphenyl)acetamide;N-(2-methylphenyl)-2-[4-(4-phenylmethoxyphenoxy)phenyl]acetamide
SMILESCc1ccccc1NC(=O)Cc1ccc(Oc2ccc(O)cc2)cc1.Cc1ccccc1NC(=O)Cc1ccc(Oc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C28H25NO3.C21H19NO3/c1-21-7-5-6-10-27(21)29-28(30)19-22-11-13-25(14-12-22)32-26-17-15-24(16-18-26)31-20-23-8-3-2-4-9-23;1-15-4-2-3-5-20(15)22-21(24)14-16-6-10-18(11-7-16)25-19-12-8-17(23)9-13-19/h2-18H,19-20H2,1H3,(H,29,30);2-13,23H,14H2,1H3,(H,22,24)
InChIKeyALFWPKLIWXPJSU-UHFFFAOYSA-N
MW756.90 g/mol
LogP11.22
Rot. Bonds13

About 2-[4-(4-hydroxyphenoxy)phenyl]-N-(2-methylphenyl)acetamide;N-(2-methylphenyl)-2-[4-(4-phenylmethoxyphenoxy)phenyl]acetamide

2-[4-(4-hydroxyphenoxy)phenyl]-N-(2-methylphenyl)acetamide;N-(2-methylphenyl)-2-[4-(4-phenylmethoxyphenoxy)phenyl]acetamide (PubChem CID 157150851) has the molecular formula C49H44N2O6 and a molecular weight of 756.90 g/mol. Its IUPAC name is 2-[4-(4-hydroxyphenoxy)phenyl]-N-(2-methylphenyl)acetamide;N-(2-methylphenyl)-2-[4-(4-phenylmethoxyphenoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-hydroxyphenoxy)phenyl]-N-(2-methylphenyl)acetamide;N-(2-methylphenyl)-2-[4-(4-phenylmethoxyphenoxy)phenyl]acetamide
PubChem CID157150851
Molecular FormulaC49H44N2O6
Molecular Weight756.90 g/mol
Exact Mass756.32
IUPAC Name2-[4-(4-hydroxyphenoxy)phenyl]-N-(2-methylphenyl)acetamide;N-(2-methylphenyl)-2-[4-(4-phenylmethoxyphenoxy)phenyl]acetamide
SMILESCc1ccccc1NC(=O)Cc1ccc(Oc2ccc(O)cc2)cc1.Cc1ccccc1NC(=O)Cc1ccc(Oc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C28H25NO3.C21H19NO3/c1-21-7-5-6-10-27(21)29-28(30)19-22-11-13-25(14-12-22)32-26-17-15-24(16-18-26)31-20-23-8-3-2-4-9-23;1-15-4-2-3-5-20(15)22-21(24)14-16-6-10-18(11-7-16)25-19-12-8-17(23)9-13-19/h2-18H,19-20H2,1H3,(H,29,30);2-13,23H,14H2,1H3,(H,22,24)
InChIKeyALFWPKLIWXPJSU-UHFFFAOYSA-N
XLogP11.22
TPSA106.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.90
LogP ≤ 511.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-ethoxyphenoxy)phenyl]-2-(4-hydroxyphenyl)acetamide
CID 78838328
2-(2-methylphenyl)-N-(4-phenylmethoxyphenyl)acetamide
CID 8573191
1-(2-methylphenyl)-3-[(4-phenylmethoxyphenyl)methylideneamino]urea
CID 4309839
2-[[2-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]acetyl]amino]benzoic acid
CID 22484910
methyl 2-(4-phenylmethoxyphenyl)acetate
CID 2756645
N-[2-(2-methylanilino)-2-oxoethyl]-2-phenylacetamide
CID 2224642
2-[4-(hydroxymethyl)phenoxy]-N-(2-methylphenyl)acetamide
CID 28561557
2-[[2-[4-[4-[(3-benzamidophenyl)methoxy]phenoxy]phenyl]acetyl]amino]benzoic acid
CID 22484939
2-(4-bromophenyl)-N-(4-phenylmethoxyphenyl)acetamide
CID 1343788
N-(2-methylphenyl)-3-phenoxypropanamide
CID 725619
2-(4-methylphenoxy)-N-(2-methylphenyl)acetamide
CID 836156
N-(4-fluoro-2-methylphenyl)-2-(3-phenylmethoxyphenyl)acetamide
CID 23440855

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-hydroxyphenoxy)phenyl]-N-(2-methylphenyl)acetamide;N-(2-methylphenyl)-2-[4-(4-phenylmethoxyphenoxy)phenyl]acetamide?
The IUPAC name of 2-[4-(4-hydroxyphenoxy)phenyl]-N-(2-methylphenyl)acetamide;N-(2-methylphenyl)-2-[4-(4-phenylmethoxyphenoxy)phenyl]acetamide (CID 157150851) is 2-[4-(4-hydroxyphenoxy)phenyl]-N-(2-methylphenyl)acetamide;N-(2-methylphenyl)-2-[4-(4-phenylmethoxyphenoxy)phenyl]acetamide.
What is the SMILES notation for 2-[4-(4-hydroxyphenoxy)phenyl]-N-(2-methylphenyl)acetamide;N-(2-methylphenyl)-2-[4-(4-phenylmethoxyphenoxy)phenyl]acetamide?
The canonical SMILES for 2-[4-(4-hydroxyphenoxy)phenyl]-N-(2-methylphenyl)acetamide;N-(2-methylphenyl)-2-[4-(4-phenylmethoxyphenoxy)phenyl]acetamide is Cc1ccccc1NC(=O)Cc1ccc(Oc2ccc(O)cc2)cc1.Cc1ccccc1NC(=O)Cc1ccc(Oc2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of 2-[4-(4-hydroxyphenoxy)phenyl]-N-(2-methylphenyl)acetamide;N-(2-methylphenyl)-2-[4-(4-phenylmethoxyphenoxy)phenyl]acetamide?
The InChIKey is ALFWPKLIWXPJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25NO3.C21H19NO3/c1-21-7-5-6-10-27(21)29-28(30)19-22-11-13-25(14-12-22)32-26-17-15-24(16-18-26)31-20-23-8-3-2-4-9-23;1-15-4-2-3-5-20(15)22-21(24)14-16-6-10-18(11-7-16)25-19-12-8-17(23)9-13-19/h2-18H,19-20H2,1H3,(H,29,30);2-13,23H,14H2,1H3,(H,22,24).
What are the key properties of 2-[4-(4-hydroxyphenoxy)phenyl]-N-(2-methylphenyl)acetamide;N-(2-methylphenyl)-2-[4-(4-phenylmethoxyphenoxy)phenyl]acetamide?
2-[4-(4-hydroxyphenoxy)phenyl]-N-(2-methylphenyl)acetamide;N-(2-methylphenyl)-2-[4-(4-phenylmethoxyphenoxy)phenyl]acetamide has a molecular weight of 756.90 g/mol, XLogP of 11.22, 13 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-hydroxyphenoxy)phenyl]-N-(2-methylphenyl)acetamide;N-(2-methylphenyl)-2-[4-(4-phenylmethoxyphenoxy)phenyl]acetamide is sourced from PubChem (CID 157150851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).