2-(4-amino-3-methylanilino)-N-methylacetamide

C10H15N3O — CID 43436351

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

About 2-(4-amino-3-methylanilino)-N-methylacetamide

2-(4-amino-3-methylanilino)-N-methylacetamide (PubChem CID 43436351) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-(4-amino-3-methylanilino)-N-methylacetamide.

Molecular Properties

Compound Name2-(4-amino-3-methylanilino)-N-methylacetamide
PubChem CID43436351
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name2-(4-amino-3-methylanilino)-N-methylacetamide
SMILESCNC(=O)CNc1ccc(N)c(C)c1
InChIInChI=1S/C10H15N3O/c1-7-5-8(3-4-9(7)11)13-6-10(14)12-2/h3-5,13H,6,11H2,1-2H3,(H,12,14)
InChIKeySJOQEROJTYWCDT-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-(3,4-dimethylanilino)-N-methylacetamide
CID 28580460
methyl 2-(4-amino-3-methylanilino)acetate
CID 43436219
2-[(5-amino-4-methyl-2-pyridinyl)amino]-N-methylacetamide
CID 79173022
2-(3-bromo-4-carbamothioylanilino)-N-methylacetamide
CID 107277358
2-(2-amino-4-methylanilino)-N-methylacetamide
CID 43310500
2-(3-bromo-5-methylanilino)-N-methylacetamide
CID 107583333
2-[3-(aminomethyl)anilino]-N-methylacetamide
CID 144916665
2-(4-amino-3-methylanilino)ethyl carbamate
CID 83201975
2-amino-5-[[2-(tert-butylamino)-2-oxoethyl]amino]benzamide
CID 115357122
4-N-[3-(4-amino-3-methylanilino)propyl]-2-methylbenzene-1,4-diamine
CID 58611253
2-(3,4-dimethylanilino)acetamide
CID 28580413
N-(4-bromo-3-methylphenyl)-2-(3,4-dimethylanilino)acetamide
CID 109007435

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-methylanilino)-N-methylacetamide?
The IUPAC name of 2-(4-amino-3-methylanilino)-N-methylacetamide (CID 43436351) is 2-(4-amino-3-methylanilino)-N-methylacetamide.
What is the SMILES notation for 2-(4-amino-3-methylanilino)-N-methylacetamide?
The canonical SMILES for 2-(4-amino-3-methylanilino)-N-methylacetamide is CNC(=O)CNc1ccc(N)c(C)c1.
What is the InChIKey of 2-(4-amino-3-methylanilino)-N-methylacetamide?
The InChIKey is SJOQEROJTYWCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-7-5-8(3-4-9(7)11)13-6-10(14)12-2/h3-5,13H,6,11H2,1-2H3,(H,12,14).
What are the key properties of 2-(4-amino-3-methylanilino)-N-methylacetamide?
2-(4-amino-3-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-(4-amino-3-methylanilino)-N-methylacetamide is sourced from PubChem (CID 43436351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).