2-[[2-(2,6-dimethylphenoxy)acetyl]-methylamino]-N-(2-phenylethyl)benzamide

C26H28N2O3 — CID 4930468

IUPAC2-[[2-(2,6-dimethylphenoxy)acetyl]-methylamino]-N-(2-phenylethyl)benzamide
SMILESCc1cccc(C)c1OCC(=O)N(C)c1ccccc1C(=O)NCCc1ccccc1
InChIInChI=1S/C26H28N2O3/c1-19-10-9-11-20(2)25(19)31-18-24(29)28(3)23-15-8-7-14-22(23)26(30)27-17-16-21-12-5-4-6-13-21/h4-15H,16-18H2,1-3H3,(H,27,30)
InChIKeyWRSOCVDKFRAAPX-UHFFFAOYSA-N
MW416.52 g/mol
LogP4.32
Rot. Bonds8

About 2-[[2-(2,6-dimethylphenoxy)acetyl]-methylamino]-N-(2-phenylethyl)benzamide

2-[[2-(2,6-dimethylphenoxy)acetyl]-methylamino]-N-(2-phenylethyl)benzamide (PubChem CID 4930468) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is 2-[[2-(2,6-dimethylphenoxy)acetyl]-methylamino]-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name2-[[2-(2,6-dimethylphenoxy)acetyl]-methylamino]-N-(2-phenylethyl)benzamide
PubChem CID4930468
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC Name2-[[2-(2,6-dimethylphenoxy)acetyl]-methylamino]-N-(2-phenylethyl)benzamide
SMILESCc1cccc(C)c1OCC(=O)N(C)c1ccccc1C(=O)NCCc1ccccc1
InChIInChI=1S/C26H28N2O3/c1-19-10-9-11-20(2)25(19)31-18-24(29)28(3)23-15-8-7-14-22(23)26(30)27-17-16-21-12-5-4-6-13-21/h4-15H,16-18H2,1-3H3,(H,27,30)
InChIKeyWRSOCVDKFRAAPX-UHFFFAOYSA-N
XLogP4.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[2-(4-nitrophenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide
CID 4930550
2-[methyl-(2-naphthalen-1-ylacetyl)amino]-N-(2-phenylethyl)benzamide
CID 4930560
2,3-dimethyl-N-(2-phenylethyl)benzamide
CID 7732731
N-benzyl-2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-methylamino]benzamide
CID 4930793
[2-[2-(furan-2-ylmethylcarbamoyl)-N-methylanilino]-2-oxoethyl] 2-(2,6-dimethylphenoxy)acetate
CID 34795367
2-[methyl-[2-(2-methylphenoxy)acetyl]amino]benzoic acid
CID 45346953
2-[benzoylcarbamothioyl(methyl)amino]-N-(2-phenylethyl)benzamide
CID 4930713
N-benzyl-2-[methyl(3-phenylpropanoyl)amino]benzamide
CID 3609594
2-[(3-butoxybenzoyl)-methylamino]-N-(2-phenylethyl)benzamide
CID 4956550
5-bromo-N-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]furan-2-carboxamide
CID 4683297
N-benzyl-2-[[(2R)-2-(2,6-dimethylphenoxy)propanoyl]-methylamino]benzamide
CID 9297562
N-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 4922676

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,6-dimethylphenoxy)acetyl]-methylamino]-N-(2-phenylethyl)benzamide?
The IUPAC name of 2-[[2-(2,6-dimethylphenoxy)acetyl]-methylamino]-N-(2-phenylethyl)benzamide (CID 4930468) is 2-[[2-(2,6-dimethylphenoxy)acetyl]-methylamino]-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 2-[[2-(2,6-dimethylphenoxy)acetyl]-methylamino]-N-(2-phenylethyl)benzamide?
The canonical SMILES for 2-[[2-(2,6-dimethylphenoxy)acetyl]-methylamino]-N-(2-phenylethyl)benzamide is Cc1cccc(C)c1OCC(=O)N(C)c1ccccc1C(=O)NCCc1ccccc1.
What is the InChIKey of 2-[[2-(2,6-dimethylphenoxy)acetyl]-methylamino]-N-(2-phenylethyl)benzamide?
The InChIKey is WRSOCVDKFRAAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-19-10-9-11-20(2)25(19)31-18-24(29)28(3)23-15-8-7-14-22(23)26(30)27-17-16-21-12-5-4-6-13-21/h4-15H,16-18H2,1-3H3,(H,27,30).
What are the key properties of 2-[[2-(2,6-dimethylphenoxy)acetyl]-methylamino]-N-(2-phenylethyl)benzamide?
2-[[2-(2,6-dimethylphenoxy)acetyl]-methylamino]-N-(2-phenylethyl)benzamide has a molecular weight of 416.52 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,6-dimethylphenoxy)acetyl]-methylamino]-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 4930468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).