3-[[2-(2-amino-4-methylanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide

C14H22N4O2 — CID 106914557

IUPAC3-[[2-(2-amino-4-methylanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)CC(=O)Nc1ccc(C)cc1N
InChIInChI=1S/C14H22N4O2/c1-10-4-5-12(11(15)8-10)17-14(20)9-18(3)7-6-13(19)16-2/h4-5,8H,6-7,9,15H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyZWRKTVBPKBOMQH-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.58
Rot. Bonds6

About 3-[[2-(2-amino-4-methylanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide

3-[[2-(2-amino-4-methylanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide (PubChem CID 106914557) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-[[2-(2-amino-4-methylanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[[2-(2-amino-4-methylanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide
PubChem CID106914557
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name3-[[2-(2-amino-4-methylanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)CC(=O)Nc1ccc(C)cc1N
InChIInChI=1S/C14H22N4O2/c1-10-4-5-12(11(15)8-10)17-14(20)9-18(3)7-6-13(19)16-2/h4-5,8H,6-7,9,15H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyZWRKTVBPKBOMQH-UHFFFAOYSA-N
XLogP0.58
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[[2-(2-amino-4-methylanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-4-methylphenyl)-2-[methyl(2-methylsulfanylethyl)amino]acetamide
CID 112657351
N-(2-amino-4-methylphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]acetamide
CID 81059349
3-[[2-(4-amino-2-chloroanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide
CID 106914665
N-(2-amino-4-methylphenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 61424715
N-(2-amino-4-fluorophenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 54879385
N-(2-amino-4-methylphenyl)-2-[bis(cyanomethyl)amino]acetamide
CID 43375756
2-[[2-(2-aminoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 43374525
2-[[2-(4-amino-2-methylanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 43374519
2-(2-amino-4-methylanilino)-N-methylacetamide
CID 43310500
3-[[3-(5-amino-2-methylanilino)-3-oxopropyl]-methylamino]-N-methylpropanamide
CID 106914620
N-(2-amino-4-methoxyphenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 54879538
N-(2-amino-4-methylphenyl)-2-[ethyl(2-methylpropyl)amino]acetamide
CID 43376005

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-amino-4-methylanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide?
The IUPAC name of 3-[[2-(2-amino-4-methylanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide (CID 106914557) is 3-[[2-(2-amino-4-methylanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[[2-(2-amino-4-methylanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[[2-(2-amino-4-methylanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide is CNC(=O)CCN(C)CC(=O)Nc1ccc(C)cc1N.
What is the InChIKey of 3-[[2-(2-amino-4-methylanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide?
The InChIKey is ZWRKTVBPKBOMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-10-4-5-12(11(15)8-10)17-14(20)9-18(3)7-6-13(19)16-2/h4-5,8H,6-7,9,15H2,1-3H3,(H,16,19)(H,17,20).
What are the key properties of 3-[[2-(2-amino-4-methylanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide?
3-[[2-(2-amino-4-methylanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide has a molecular weight of 278.36 g/mol, XLogP of 0.58, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-amino-4-methylanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide is sourced from PubChem (CID 106914557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).