2-[[2-(2-amino-6-methylanilino)-2-oxoethyl]-methylamino]-N-methylacetamide

C13H20N4O2 — CID 43376076

IUPAC2-[[2-(2-amino-6-methylanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)CC(=O)Nc1c(C)cccc1N
InChIInChI=1S/C13H20N4O2/c1-9-5-4-6-10(14)13(9)16-12(19)8-17(3)7-11(18)15-2/h4-6H,7-8,14H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyCTJUOSPYOQKKDR-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.19
Rot. Bonds5

About 2-[[2-(2-amino-6-methylanilino)-2-oxoethyl]-methylamino]-N-methylacetamide

2-[[2-(2-amino-6-methylanilino)-2-oxoethyl]-methylamino]-N-methylacetamide (PubChem CID 43376076) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-[[2-(2-amino-6-methylanilino)-2-oxoethyl]-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[2-(2-amino-6-methylanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
PubChem CID43376076
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-[[2-(2-amino-6-methylanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)CC(=O)Nc1c(C)cccc1N
InChIInChI=1S/C13H20N4O2/c1-9-5-4-6-10(14)13(9)16-12(19)8-17(3)7-11(18)15-2/h4-6H,7-8,14H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyCTJUOSPYOQKKDR-UHFFFAOYSA-N
XLogP0.19
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(2-aminoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 43374525
N-(2-amino-6-methylphenyl)-2-(dipropylamino)acetamide
CID 43375546
2-amino-N,6-dimethyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 43374604
N-(2,6-dimethylphenyl)-2-[methyl-[3-(methylamino)propyl]amino]acetamide
CID 18005848
N-(2-amino-6-methylphenyl)-2-[butan-2-yl(ethyl)amino]acetamide
CID 43376010
N-(2-amino-6-methylphenyl)-2-[butyl(ethyl)amino]acetamide
CID 43375741
N-(2-amino-6-methylphenyl)-2-[1-cyanopropan-2-yl(methyl)amino]acetamide
CID 55174325
N-(2-amino-6-methylphenyl)-2-(2-methylphenyl)acetamide
CID 43152283
N-(2-amino-6-methylphenyl)-2-methoxyacetamide
CID 43376359
methyl N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]carbamate
CID 9221932
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(3-methylbutyl)acetamide
CID 9222192
N-(2-amino-6-methylphenyl)-2-[ethyl(2-ethylbutyl)amino]acetamide
CID 43587408

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-amino-6-methylanilino)-2-oxoethyl]-methylamino]-N-methylacetamide?
The IUPAC name of 2-[[2-(2-amino-6-methylanilino)-2-oxoethyl]-methylamino]-N-methylacetamide (CID 43376076) is 2-[[2-(2-amino-6-methylanilino)-2-oxoethyl]-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[[2-(2-amino-6-methylanilino)-2-oxoethyl]-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[[2-(2-amino-6-methylanilino)-2-oxoethyl]-methylamino]-N-methylacetamide is CNC(=O)CN(C)CC(=O)Nc1c(C)cccc1N.
What is the InChIKey of 2-[[2-(2-amino-6-methylanilino)-2-oxoethyl]-methylamino]-N-methylacetamide?
The InChIKey is CTJUOSPYOQKKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-9-5-4-6-10(14)13(9)16-12(19)8-17(3)7-11(18)15-2/h4-6H,7-8,14H2,1-3H3,(H,15,18)(H,16,19).
What are the key properties of 2-[[2-(2-amino-6-methylanilino)-2-oxoethyl]-methylamino]-N-methylacetamide?
2-[[2-(2-amino-6-methylanilino)-2-oxoethyl]-methylamino]-N-methylacetamide has a molecular weight of 264.33 g/mol, XLogP of 0.19, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-amino-6-methylanilino)-2-oxoethyl]-methylamino]-N-methylacetamide is sourced from PubChem (CID 43376076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).