2-[2-(3,5-dimethylanilino)-2-oxoethoxy]-N-phenylbenzamide

C23H22N2O3 — CID 7980967

IUPAC2-[2-(3,5-dimethylanilino)-2-oxoethoxy]-N-phenylbenzamide
SMILESCc1cc(C)cc(NC(=O)COc2ccccc2C(=O)Nc2ccccc2)c1
InChIInChI=1S/C23H22N2O3/c1-16-12-17(2)14-19(13-16)24-22(26)15-28-21-11-7-6-10-20(21)23(27)25-18-8-4-3-5-9-18/h3-14H,15H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyMACBQDYDXBAHDJ-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.57
Rot. Bonds6

About 2-[2-(3,5-dimethylanilino)-2-oxoethoxy]-N-phenylbenzamide

2-[2-(3,5-dimethylanilino)-2-oxoethoxy]-N-phenylbenzamide (PubChem CID 7980967) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-[2-(3,5-dimethylanilino)-2-oxoethoxy]-N-phenylbenzamide.

Molecular Properties

Compound Name2-[2-(3,5-dimethylanilino)-2-oxoethoxy]-N-phenylbenzamide
PubChem CID7980967
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name2-[2-(3,5-dimethylanilino)-2-oxoethoxy]-N-phenylbenzamide
SMILESCc1cc(C)cc(NC(=O)COc2ccccc2C(=O)Nc2ccccc2)c1
InChIInChI=1S/C23H22N2O3/c1-16-12-17(2)14-19(13-16)24-22(26)15-28-21-11-7-6-10-20(21)23(27)25-18-8-4-3-5-9-18/h3-14H,15H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyMACBQDYDXBAHDJ-UHFFFAOYSA-N
XLogP4.57
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-methylanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 2709122
2-[2-(benzylamino)-2-oxoethoxy]-N-(3,5-dimethylphenyl)benzamide
CID 174959966
2-[2-(tert-butylamino)-2-oxoethoxy]-N-(3,5-dimethylphenyl)benzamide
CID 1313364
N-(3,5-dimethylphenyl)-2-(2-methylpropoxy)benzamide
CID 4945346
2-[2-(hydrazinecarbonyl)phenoxy]-N-(4-methylphenyl)acetamide
CID 54793411
2-[2-(4-iodo-2-methylanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 112778621
2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2,5-dimethylphenyl)benzamide
CID 112759231
2-[[3-[[2-(2-methylphenoxy)acetyl]amino]phenyl]carbamoyl]benzoic acid
CID 3306874
2-[2-[4-(cyanomethyl)anilino]-2-oxoethoxy]-N-phenylbenzamide
CID 8866379
2-(2-anilino-2-oxoethoxy)-N-benzylbenzamide
CID 4800998
N-(3-methylphenyl)-2-(2-methylprop-2-enoxy)benzamide
CID 17130400
N-(3-methylphenyl)-2-(2-propanoylphenoxy)acetamide
CID 24693195

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethylanilino)-2-oxoethoxy]-N-phenylbenzamide?
The IUPAC name of 2-[2-(3,5-dimethylanilino)-2-oxoethoxy]-N-phenylbenzamide (CID 7980967) is 2-[2-(3,5-dimethylanilino)-2-oxoethoxy]-N-phenylbenzamide.
What is the SMILES notation for 2-[2-(3,5-dimethylanilino)-2-oxoethoxy]-N-phenylbenzamide?
The canonical SMILES for 2-[2-(3,5-dimethylanilino)-2-oxoethoxy]-N-phenylbenzamide is Cc1cc(C)cc(NC(=O)COc2ccccc2C(=O)Nc2ccccc2)c1.
What is the InChIKey of 2-[2-(3,5-dimethylanilino)-2-oxoethoxy]-N-phenylbenzamide?
The InChIKey is MACBQDYDXBAHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-16-12-17(2)14-19(13-16)24-22(26)15-28-21-11-7-6-10-20(21)23(27)25-18-8-4-3-5-9-18/h3-14H,15H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of 2-[2-(3,5-dimethylanilino)-2-oxoethoxy]-N-phenylbenzamide?
2-[2-(3,5-dimethylanilino)-2-oxoethoxy]-N-phenylbenzamide has a molecular weight of 374.44 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethylanilino)-2-oxoethoxy]-N-phenylbenzamide is sourced from PubChem (CID 7980967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).