5-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyl-2-methylbenzamide

C20H25N3O2 — CID 120636103

IUPAC5-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyl-2-methylbenzamide
SMILESCCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1cc(N)ccc1C
InChIInChI=1S/C20H25N3O2/c1-5-23(20(25)17-11-16(21)10-9-13(17)2)12-18(24)22-19-14(3)7-6-8-15(19)4/h6-11H,5,12,21H2,1-4H3,(H,22,24)
InChIKeyCZKHQPCNUSSSOT-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.29
Rot. Bonds5

About 5-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyl-2-methylbenzamide

5-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyl-2-methylbenzamide (PubChem CID 120636103) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 5-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyl-2-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyl-2-methylbenzamide
PubChem CID120636103
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name5-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyl-2-methylbenzamide
SMILESCCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1cc(N)ccc1C
InChIInChI=1S/C20H25N3O2/c1-5-23(20(25)17-11-16(21)10-9-13(17)2)12-18(24)22-19-14(3)7-6-8-15(19)4/h6-11H,5,12,21H2,1-4H3,(H,22,24)
InChIKeyCZKHQPCNUSSSOT-UHFFFAOYSA-N
XLogP3.29
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethyl-2-methylbenzamide;hydrochloride
CID 120617392
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-5-(ethylsulfamoyl)-2-methylbenzamide
CID 38370916
bis(2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide);dihydrochloride
CID 69335483
CID 89442401
CID 89442401
5-amino-N,N-bis(2-hydroxyethyl)-2-methylbenzamide
CID 61289864
2,4-diamino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 61093678
[2-(2,6-dimethylanilino)-2-oxoethyl] N,N-diethylcarbamodithioate
CID 2842840
2,4-diamino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 61107401
N-[(3-aminophenyl)methyl]-N-ethyl-2,5-dimethylbenzamide
CID 43458950
5-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methylbenzamide;hydrochloride
CID 120618102
5-amino-2-methyl-N,N-bis(2-methylpropyl)benzamide
CID 61291739
5-amino-2-methyl-N,N-bis(prop-2-enyl)benzamide
CID 61291356

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyl-2-methylbenzamide?
The IUPAC name of 5-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyl-2-methylbenzamide (CID 120636103) is 5-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyl-2-methylbenzamide.
What is the SMILES notation for 5-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyl-2-methylbenzamide?
The canonical SMILES for 5-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyl-2-methylbenzamide is CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1cc(N)ccc1C.
What is the InChIKey of 5-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyl-2-methylbenzamide?
The InChIKey is CZKHQPCNUSSSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-5-23(20(25)17-11-16(21)10-9-13(17)2)12-18(24)22-19-14(3)7-6-8-15(19)4/h6-11H,5,12,21H2,1-4H3,(H,22,24).
What are the key properties of 5-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyl-2-methylbenzamide?
5-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyl-2-methylbenzamide has a molecular weight of 339.44 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyl-2-methylbenzamide is sourced from PubChem (CID 120636103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).