N-(2,6-dimethylphenyl)-2-[[2-(N-ethylanilino)-2-oxoethyl]-methylamino]acetamide

C21H27N3O2 — CID 8793555

IUPACN-(2,6-dimethylphenyl)-2-[[2-(N-ethylanilino)-2-oxoethyl]-methylamino]acetamide
SMILESCCN(C(=O)CN(C)CC(=O)Nc1c(C)cccc1C)c1ccccc1
InChIInChI=1S/C21H27N3O2/c1-5-24(18-12-7-6-8-13-18)20(26)15-23(4)14-19(25)22-21-16(2)10-9-11-17(21)3/h6-13H,5,14-15H2,1-4H3,(H,22,25)
InChIKeyJFULEXJMVDCSMM-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.23
Rot. Bonds7

About N-(2,6-dimethylphenyl)-2-[[2-(N-ethylanilino)-2-oxoethyl]-methylamino]acetamide

N-(2,6-dimethylphenyl)-2-[[2-(N-ethylanilino)-2-oxoethyl]-methylamino]acetamide (PubChem CID 8793555) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[[2-(N-ethylanilino)-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[[2-(N-ethylanilino)-2-oxoethyl]-methylamino]acetamide
PubChem CID8793555
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-(2,6-dimethylphenyl)-2-[[2-(N-ethylanilino)-2-oxoethyl]-methylamino]acetamide
SMILESCCN(C(=O)CN(C)CC(=O)Nc1c(C)cccc1C)c1ccccc1
InChIInChI=1S/C21H27N3O2/c1-5-24(18-12-7-6-8-13-18)20(26)15-23(4)14-19(25)22-21-16(2)10-9-11-17(21)3/h6-13H,5,14-15H2,1-4H3,(H,22,25)
InChIKeyJFULEXJMVDCSMM-UHFFFAOYSA-N
XLogP3.23
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethylphenyl)-2-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]acetamide
CID 8793567
N-cyclopropyl-2-[[2-(N-ethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 8908925
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2-phenylethyl)acetamide
CID 27244251
2-(N-acetylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 113167169
2-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-methylamino]acetic acid
CID 43442470
2-[[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 27243399
N-(2,6-dimethylphenyl)-2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-methylamino]acetamide
CID 9221772
CID 89442401
CID 89442401
bis(2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide);dihydrochloride
CID 69335483
methyl N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]carbamate
CID 9221932
[2-(2,6-dimethylanilino)-2-oxoethyl]-[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl]-methylazanium
CID 8793600
2-[ethyl(methyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 60516691

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[[2-(N-ethylanilino)-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[[2-(N-ethylanilino)-2-oxoethyl]-methylamino]acetamide (CID 8793555) is N-(2,6-dimethylphenyl)-2-[[2-(N-ethylanilino)-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[[2-(N-ethylanilino)-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[[2-(N-ethylanilino)-2-oxoethyl]-methylamino]acetamide is CCN(C(=O)CN(C)CC(=O)Nc1c(C)cccc1C)c1ccccc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[[2-(N-ethylanilino)-2-oxoethyl]-methylamino]acetamide?
The InChIKey is JFULEXJMVDCSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-5-24(18-12-7-6-8-13-18)20(26)15-23(4)14-19(25)22-21-16(2)10-9-11-17(21)3/h6-13H,5,14-15H2,1-4H3,(H,22,25).
What are the key properties of N-(2,6-dimethylphenyl)-2-[[2-(N-ethylanilino)-2-oxoethyl]-methylamino]acetamide?
N-(2,6-dimethylphenyl)-2-[[2-(N-ethylanilino)-2-oxoethyl]-methylamino]acetamide has a molecular weight of 353.47 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[[2-(N-ethylanilino)-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 8793555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).