2-[2-(dimethylamino)-2-oxoethoxy]-N-[1-(4-ethylphenyl)ethyl]benzamide

C21H26N2O3 — CID 46521998

IUPAC2-[2-(dimethylamino)-2-oxoethoxy]-N-[1-(4-ethylphenyl)ethyl]benzamide
SMILESCCc1ccc(C(C)NC(=O)c2ccccc2OCC(=O)N(C)C)cc1
InChIInChI=1S/C21H26N2O3/c1-5-16-10-12-17(13-11-16)15(2)22-21(25)18-8-6-7-9-19(18)26-14-20(24)23(3)4/h6-13,15H,5,14H2,1-4H3,(H,22,25)
InChIKeyRUNPJDKYYBMJOJ-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.21
Rot. Bonds7

About 2-[2-(dimethylamino)-2-oxoethoxy]-N-[1-(4-ethylphenyl)ethyl]benzamide

2-[2-(dimethylamino)-2-oxoethoxy]-N-[1-(4-ethylphenyl)ethyl]benzamide (PubChem CID 46521998) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-2-oxoethoxy]-N-[1-(4-ethylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)-2-oxoethoxy]-N-[1-(4-ethylphenyl)ethyl]benzamide
PubChem CID46521998
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name2-[2-(dimethylamino)-2-oxoethoxy]-N-[1-(4-ethylphenyl)ethyl]benzamide
SMILESCCc1ccc(C(C)NC(=O)c2ccccc2OCC(=O)N(C)C)cc1
InChIInChI=1S/C21H26N2O3/c1-5-16-10-12-17(13-11-16)15(2)22-21(25)18-8-6-7-9-19(18)26-14-20(24)23(3)4/h6-13,15H,5,14H2,1-4H3,(H,22,25)
InChIKeyRUNPJDKYYBMJOJ-UHFFFAOYSA-N
XLogP3.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethoxy]benzoate
CID 7695014
2-(2-amino-2-oxoethoxy)-N-[1-(4-ethoxyphenyl)ethyl]benzamide
CID 24582222
N-[1-(4-ethylphenyl)ethyl]-2-methylbenzamide
CID 17326783
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-phenylmethoxybenzamide
CID 99953141
N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 94612968
2-(2-bromophenoxy)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 17326940
2-[2-(dimethylamino)-2-oxoethoxy]-N-(3-methyl-2-phenylbutyl)benzamide
CID 46447084
(E)-2-[[2-[2-(dimethylamino)-2-oxoethoxy]benzoyl]amino]hex-4-enoic acid
CID 120693578
2-[(4-chlorophenyl)methoxy]-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]benzamide
CID 60535034
2-[2-(dimethylamino)-2-oxoethoxy]-N-pentylbenzamide
CID 32976806
2-chloro-N-[1-(4-ethylphenyl)ethyl]pyridine-3-carboxamide
CID 17326874
3-[4-[[2-(1-phenylethylcarbamoyl)phenoxy]methyl]phenyl]propanoic acid
CID 174458853

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-2-oxoethoxy]-N-[1-(4-ethylphenyl)ethyl]benzamide?
The IUPAC name of 2-[2-(dimethylamino)-2-oxoethoxy]-N-[1-(4-ethylphenyl)ethyl]benzamide (CID 46521998) is 2-[2-(dimethylamino)-2-oxoethoxy]-N-[1-(4-ethylphenyl)ethyl]benzamide.
What is the SMILES notation for 2-[2-(dimethylamino)-2-oxoethoxy]-N-[1-(4-ethylphenyl)ethyl]benzamide?
The canonical SMILES for 2-[2-(dimethylamino)-2-oxoethoxy]-N-[1-(4-ethylphenyl)ethyl]benzamide is CCc1ccc(C(C)NC(=O)c2ccccc2OCC(=O)N(C)C)cc1.
What is the InChIKey of 2-[2-(dimethylamino)-2-oxoethoxy]-N-[1-(4-ethylphenyl)ethyl]benzamide?
The InChIKey is RUNPJDKYYBMJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-5-16-10-12-17(13-11-16)15(2)22-21(25)18-8-6-7-9-19(18)26-14-20(24)23(3)4/h6-13,15H,5,14H2,1-4H3,(H,22,25).
What are the key properties of 2-[2-(dimethylamino)-2-oxoethoxy]-N-[1-(4-ethylphenyl)ethyl]benzamide?
2-[2-(dimethylamino)-2-oxoethoxy]-N-[1-(4-ethylphenyl)ethyl]benzamide has a molecular weight of 354.45 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-2-oxoethoxy]-N-[1-(4-ethylphenyl)ethyl]benzamide is sourced from PubChem (CID 46521998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).