2-[2-methoxy-4-[(4-phenoxyanilino)methyl]phenoxy]-N-phenylacetamide

C28H26N2O4 — CID 126273736

IUPAC2-[2-methoxy-4-[(4-phenoxyanilino)methyl]phenoxy]-N-phenylacetamide
SMILESCOc1cc(CNc2ccc(Oc3ccccc3)cc2)ccc1OCC(=O)Nc1ccccc1
InChIInChI=1S/C28H26N2O4/c1-32-27-18-21(12-17-26(27)33-20-28(31)30-23-8-4-2-5-9-23)19-29-22-13-15-25(16-14-22)34-24-10-6-3-7-11-24/h2-18,29H,19-20H2,1H3,(H,30,31)
InChIKeyNYIGNICGYMPPFA-UHFFFAOYSA-N
MW454.53 g/mol
LogP6.12
Rot. Bonds10

About 2-[2-methoxy-4-[(4-phenoxyanilino)methyl]phenoxy]-N-phenylacetamide

2-[2-methoxy-4-[(4-phenoxyanilino)methyl]phenoxy]-N-phenylacetamide (PubChem CID 126273736) has the molecular formula C28H26N2O4 and a molecular weight of 454.53 g/mol. Its IUPAC name is 2-[2-methoxy-4-[(4-phenoxyanilino)methyl]phenoxy]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-methoxy-4-[(4-phenoxyanilino)methyl]phenoxy]-N-phenylacetamide
PubChem CID126273736
Molecular FormulaC28H26N2O4
Molecular Weight454.53 g/mol
Exact Mass454.19
IUPAC Name2-[2-methoxy-4-[(4-phenoxyanilino)methyl]phenoxy]-N-phenylacetamide
SMILESCOc1cc(CNc2ccc(Oc3ccccc3)cc2)ccc1OCC(=O)Nc1ccccc1
InChIInChI=1S/C28H26N2O4/c1-32-27-18-21(12-17-26(27)33-20-28(31)30-23-8-4-2-5-9-23)19-29-22-13-15-25(16-14-22)34-24-10-6-3-7-11-24/h2-18,29H,19-20H2,1H3,(H,30,31)
InChIKeyNYIGNICGYMPPFA-UHFFFAOYSA-N
XLogP6.12
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.53
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(anilinomethyl)-2-methoxyphenoxy]-N-(4-fluorophenyl)acetamide
CID 3917191
2-[2-methoxy-4-(methylaminomethyl)phenoxy]-N-phenylacetamide
CID 2982194
2-[4-[(3-chloroanilino)methyl]-2-methoxyphenoxy]-N-phenylacetamide
CID 2986546
2-[4-[(4-ethoxyanilino)methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 5187381
2-[4-[(4-hydroxyanilino)methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66525784
2-[4-(anilinomethyl)-2-methoxyphenoxy]acetamide
CID 961527
N-[4-[(4-methoxyphenyl)methylamino]phenyl]-2-phenoxyacetamide
CID 112982725
2-[4-(anilinomethyl)-2-methoxyphenoxy]-N-(2,4-dimethylphenyl)acetamide
CID 126382591
N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126119873
2-[4-[(3,4-dimethylanilino)methyl]-2-methoxyphenoxy]-N-(3,4-dimethylphenyl)acetamide
CID 4019800
2-[2-ethoxy-4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]-N-phenylacetamide
CID 30610439
2-[2-methoxy-4-[(4-methylanilino)methyl]phenoxy]-N-(2-methylphenyl)acetamide
CID 126382451

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[(4-phenoxyanilino)methyl]phenoxy]-N-phenylacetamide?
The IUPAC name of 2-[2-methoxy-4-[(4-phenoxyanilino)methyl]phenoxy]-N-phenylacetamide (CID 126273736) is 2-[2-methoxy-4-[(4-phenoxyanilino)methyl]phenoxy]-N-phenylacetamide.
What is the SMILES notation for 2-[2-methoxy-4-[(4-phenoxyanilino)methyl]phenoxy]-N-phenylacetamide?
The canonical SMILES for 2-[2-methoxy-4-[(4-phenoxyanilino)methyl]phenoxy]-N-phenylacetamide is COc1cc(CNc2ccc(Oc3ccccc3)cc2)ccc1OCC(=O)Nc1ccccc1.
What is the InChIKey of 2-[2-methoxy-4-[(4-phenoxyanilino)methyl]phenoxy]-N-phenylacetamide?
The InChIKey is NYIGNICGYMPPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O4/c1-32-27-18-21(12-17-26(27)33-20-28(31)30-23-8-4-2-5-9-23)19-29-22-13-15-25(16-14-22)34-24-10-6-3-7-11-24/h2-18,29H,19-20H2,1H3,(H,30,31).
What are the key properties of 2-[2-methoxy-4-[(4-phenoxyanilino)methyl]phenoxy]-N-phenylacetamide?
2-[2-methoxy-4-[(4-phenoxyanilino)methyl]phenoxy]-N-phenylacetamide has a molecular weight of 454.53 g/mol, XLogP of 6.12, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[(4-phenoxyanilino)methyl]phenoxy]-N-phenylacetamide is sourced from PubChem (CID 126273736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).