2-[[2-(3,5-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide

C21H27N3O2 — CID 9304031

IUPAC2-[[2-(3,5-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN(C)CC(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C21H27N3O2/c1-5-17-8-6-7-9-19(17)23-21(26)14-24(4)13-20(25)22-18-11-15(2)10-16(3)12-18/h6-12H,5,13-14H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyHSRLGMMTQDOSQG-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.37
Rot. Bonds7

About 2-[[2-(3,5-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide

2-[[2-(3,5-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide (PubChem CID 9304031) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-[[2-(3,5-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(3,5-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide
PubChem CID9304031
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name2-[[2-(3,5-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN(C)CC(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C21H27N3O2/c1-5-17-8-6-7-9-19(17)23-21(26)14-24(4)13-20(25)22-18-11-15(2)10-16(3)12-18/h6-12H,5,13-14H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyHSRLGMMTQDOSQG-UHFFFAOYSA-N
XLogP3.37
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 46562888
1-(3,5-dimethylphenyl)-3-(2-ethylphenyl)urea
CID 108991353
2-[[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-(3-methylphenyl)benzamide
CID 55411601
2-[[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide
CID 18135262
2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 9303896
N-(3,5-dimethylphenyl)-2-[(2-ethoxyphenyl)methyl-methylamino]acetamide
CID 78899721
N-benzyl-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 18083031
2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-prop-2-ynylacetamide
CID 8789459
N-(2-ethylphenyl)-2-[(4-ethylphenyl)methyl-methylamino]acetamide
CID 27095559
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-(3-methylphenyl)acetamide
CID 9252643
2-[(4-bromophenyl)methyl-methylamino]-N-(2-ethylphenyl)acetamide
CID 9039948
2-[[2-(3,5-dimethylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 9302865

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,5-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-[[2-(3,5-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide (CID 9304031) is 2-[[2-(3,5-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(3,5-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-[[2-(3,5-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)CN(C)CC(=O)Nc1cc(C)cc(C)c1.
What is the InChIKey of 2-[[2-(3,5-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide?
The InChIKey is HSRLGMMTQDOSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-5-17-8-6-7-9-19(17)23-21(26)14-24(4)13-20(25)22-18-11-15(2)10-16(3)12-18/h6-12H,5,13-14H2,1-4H3,(H,22,25)(H,23,26).
What are the key properties of 2-[[2-(3,5-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide?
2-[[2-(3,5-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide has a molecular weight of 353.47 g/mol, XLogP of 3.37, 7 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-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 9304031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).