3-[2-(dimethylamino)-2-oxoethoxy]-N-[2-(4-methoxyphenyl)-2-methylpropyl]benzamide

C22H28N2O4 — CID 86866211

IUPAC3-[2-(dimethylamino)-2-oxoethoxy]-N-[2-(4-methoxyphenyl)-2-methylpropyl]benzamide
SMILESCOc1ccc(C(C)(C)CNC(=O)c2cccc(OCC(=O)N(C)C)c2)cc1
InChIInChI=1S/C22H28N2O4/c1-22(2,17-9-11-18(27-5)12-10-17)15-23-21(26)16-7-6-8-19(13-16)28-14-20(25)24(3)4/h6-13H,14-15H2,1-5H3,(H,23,26)
InChIKeyPLJBNRQCASEQJP-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.87
Rot. Bonds8

About 3-[2-(dimethylamino)-2-oxoethoxy]-N-[2-(4-methoxyphenyl)-2-methylpropyl]benzamide

3-[2-(dimethylamino)-2-oxoethoxy]-N-[2-(4-methoxyphenyl)-2-methylpropyl]benzamide (PubChem CID 86866211) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 3-[2-(dimethylamino)-2-oxoethoxy]-N-[2-(4-methoxyphenyl)-2-methylpropyl]benzamide.

Molecular Properties

Compound Name3-[2-(dimethylamino)-2-oxoethoxy]-N-[2-(4-methoxyphenyl)-2-methylpropyl]benzamide
PubChem CID86866211
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name3-[2-(dimethylamino)-2-oxoethoxy]-N-[2-(4-methoxyphenyl)-2-methylpropyl]benzamide
SMILESCOc1ccc(C(C)(C)CNC(=O)c2cccc(OCC(=O)N(C)C)c2)cc1
InChIInChI=1S/C22H28N2O4/c1-22(2,17-9-11-18(27-5)12-10-17)15-23-21(26)16-7-6-8-19(13-16)28-14-20(25)24(3)4/h6-13H,14-15H2,1-5H3,(H,23,26)
InChIKeyPLJBNRQCASEQJP-UHFFFAOYSA-N
XLogP2.87
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-methylbenzamide
CID 113090429
3-[2-(dimethylamino)-2-oxoethoxy]benzoic acid
CID 16769869
2-[3-[[2-methyl-2-(3-methylphenyl)propyl]carbamoyl]phenoxy]acetic acid
CID 119182911
2-[3-[3-(4-tert-butylphenyl)prop-2-enoyl]phenoxy]-N,N-dimethylacetamide
CID 75918815
3-[2-(dimethylamino)-2-oxoethoxy]-N-[6-(4-methoxyphenyl)pyrimidin-4-yl]benzamide
CID 166327278
N-[2-(4-methoxyphenyl)-2-methylpropyl]-4-(trifluoromethyl)benzamide
CID 113090468
3-[2-(dimethylamino)-2-oxoethoxy]-N-[4-(propylcarbamoyl)phenyl]benzamide
CID 55892925
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methoxybenzamide
CID 103840032
2-[3-[[2-methyl-2-(2-methylphenyl)propyl]carbamoyl]phenoxy]acetic acid
CID 119182902
2-[3-[[[2-(2-methoxyanilino)acetyl]amino]carbamoyl]phenoxy]-N,N-dimethylacetamide
CID 55791205
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-methoxybenzamide
CID 32943268
N-[3-(carbamoylamino)phenyl]-3-[2-(dimethylamino)-2-oxoethoxy]benzamide
CID 55823894

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)-2-oxoethoxy]-N-[2-(4-methoxyphenyl)-2-methylpropyl]benzamide?
The IUPAC name of 3-[2-(dimethylamino)-2-oxoethoxy]-N-[2-(4-methoxyphenyl)-2-methylpropyl]benzamide (CID 86866211) is 3-[2-(dimethylamino)-2-oxoethoxy]-N-[2-(4-methoxyphenyl)-2-methylpropyl]benzamide.
What is the SMILES notation for 3-[2-(dimethylamino)-2-oxoethoxy]-N-[2-(4-methoxyphenyl)-2-methylpropyl]benzamide?
The canonical SMILES for 3-[2-(dimethylamino)-2-oxoethoxy]-N-[2-(4-methoxyphenyl)-2-methylpropyl]benzamide is COc1ccc(C(C)(C)CNC(=O)c2cccc(OCC(=O)N(C)C)c2)cc1.
What is the InChIKey of 3-[2-(dimethylamino)-2-oxoethoxy]-N-[2-(4-methoxyphenyl)-2-methylpropyl]benzamide?
The InChIKey is PLJBNRQCASEQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-22(2,17-9-11-18(27-5)12-10-17)15-23-21(26)16-7-6-8-19(13-16)28-14-20(25)24(3)4/h6-13H,14-15H2,1-5H3,(H,23,26).
What are the key properties of 3-[2-(dimethylamino)-2-oxoethoxy]-N-[2-(4-methoxyphenyl)-2-methylpropyl]benzamide?
3-[2-(dimethylamino)-2-oxoethoxy]-N-[2-(4-methoxyphenyl)-2-methylpropyl]benzamide has a molecular weight of 384.48 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)-2-oxoethoxy]-N-[2-(4-methoxyphenyl)-2-methylpropyl]benzamide is sourced from PubChem (CID 86866211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).