2-(2-amino-4-methylanilino)-N-methylacetamide

C10H15N3O — CID 43310500

IUPAC2-(2-amino-4-methylanilino)-N-methylacetamide
SMILESCNC(=O)CNc1ccc(C)cc1N
InChIInChI=1S/C10H15N3O/c1-7-3-4-9(8(11)5-7)13-6-10(14)12-2/h3-5,13H,6,11H2,1-2H3,(H,12,14)
InChIKeyHQTBQYAWCDBMQI-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.74
Rot. Bonds3

About 2-(2-amino-4-methylanilino)-N-methylacetamide

2-(2-amino-4-methylanilino)-N-methylacetamide (PubChem CID 43310500) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-(2-amino-4-methylanilino)-N-methylacetamide.

Molecular Properties

Compound Name2-(2-amino-4-methylanilino)-N-methylacetamide
PubChem CID43310500
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name2-(2-amino-4-methylanilino)-N-methylacetamide
SMILESCNC(=O)CNc1ccc(C)cc1N
InChIInChI=1S/C10H15N3O/c1-7-3-4-9(8(11)5-7)13-6-10(14)12-2/h3-5,13H,6,11H2,1-2H3,(H,12,14)
InChIKeyHQTBQYAWCDBMQI-UHFFFAOYSA-N
XLogP0.74
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-4-methylanilino)acetamide
CID 43349420
2-(2-amino-4-methylanilino)acetic acid
CID 62253680
2-(2-amino-4-iodoanilino)-N-methylacetamide
CID 66066263
3-amino-4-[[2-(methylamino)-2-oxoethyl]amino]benzoic acid
CID 60989275
2-(2-amino-4-methylanilino)-N-cyclopropylacetamide
CID 43568194
2-(4-amino-3-methylanilino)-N-methylacetamide
CID 43436351
3-[[2-(2-amino-4-methylanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide
CID 106914557
3-(2-amino-4-methylanilino)-N-cyclopropylpropanamide
CID 79385467
1-N-(methoxymethyl)-4-methylbenzene-1,2-diamine
CID 174946886
4-methyl-1-N-(2-methylsulfonylethyl)benzene-1,2-diamine
CID 60918123
5-methyl-2-(methylamino)-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 62511070
4-(2-amino-5-methylphenyl)sulfonyl-N-methylbutanamide
CID 81183828

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-methylanilino)-N-methylacetamide?
The IUPAC name of 2-(2-amino-4-methylanilino)-N-methylacetamide (CID 43310500) is 2-(2-amino-4-methylanilino)-N-methylacetamide.
What is the SMILES notation for 2-(2-amino-4-methylanilino)-N-methylacetamide?
The canonical SMILES for 2-(2-amino-4-methylanilino)-N-methylacetamide is CNC(=O)CNc1ccc(C)cc1N.
What is the InChIKey of 2-(2-amino-4-methylanilino)-N-methylacetamide?
The InChIKey is HQTBQYAWCDBMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-7-3-4-9(8(11)5-7)13-6-10(14)12-2/h3-5,13H,6,11H2,1-2H3,(H,12,14).
What are the key properties of 2-(2-amino-4-methylanilino)-N-methylacetamide?
2-(2-amino-4-methylanilino)-N-methylacetamide has a molecular weight of 193.25 g/mol, XLogP of 0.74, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-methylanilino)-N-methylacetamide is sourced from PubChem (CID 43310500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).