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

C13H19N3O — CID 79385467

IUPAC3-(2-amino-4-methylanilino)-N-cyclopropylpropanamide
SMILESCc1ccc(NCCC(=O)NC2CC2)c(N)c1
InChIInChI=1S/C13H19N3O/c1-9-2-5-12(11(14)8-9)15-7-6-13(17)16-10-3-4-10/h2,5,8,10,15H,3-4,6-7,14H2,1H3,(H,16,17)
InChIKeyBFOFYWWEVSWLHE-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.66
Rot. Bonds5

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

3-(2-amino-4-methylanilino)-N-cyclopropylpropanamide (PubChem CID 79385467) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-(2-amino-4-methylanilino)-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-(2-amino-4-methylanilino)-N-cyclopropylpropanamide
PubChem CID79385467
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name3-(2-amino-4-methylanilino)-N-cyclopropylpropanamide
SMILESCc1ccc(NCCC(=O)NC2CC2)c(N)c1
InChIInChI=1S/C13H19N3O/c1-9-2-5-12(11(14)8-9)15-7-6-13(17)16-10-3-4-10/h2,5,8,10,15H,3-4,6-7,14H2,1H3,(H,16,17)
InChIKeyBFOFYWWEVSWLHE-UHFFFAOYSA-N
XLogP1.66
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.66
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)-N-cyclopropylacetamide
CID 43568194
3-amino-4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-N,N-dimethylbenzamide
CID 82992240
1-(2-amino-4-methylphenyl)-3-cyclopropylurea
CID 62699288
methyl 5-amino-2-[[3-(cyclopropylamino)-3-oxopropyl]amino]benzoate
CID 79395347
ethyl 4-[3-(2,5-dimethylanilino)propanoylamino]piperidine-1-carboxylate
CID 109028829
4-[2-amino-4-(trifluoromethyl)anilino]-N-cyclopropylbutanamide
CID 79378514
1-N-cyclopropyl-4-methylbenzene-1,2-diamine
CID 43349417
2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-5-methylbenzamide
CID 79386137
2-(2-amino-4-methylphenyl)-N-cyclopentylacetamide
CID 99991566
3-(3-acetyl-4-aminoanilino)-N-cyclopropylpropanamide
CID 104612970
1-N-cyclopropyl-4-methylbenzene-1,2-diamine;ethane
CID 162380718
2-amino-N-cyclopropyl-4-methylbenzamide;hydrochloride
CID 141105148

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-methylanilino)-N-cyclopropylpropanamide?
The IUPAC name of 3-(2-amino-4-methylanilino)-N-cyclopropylpropanamide (CID 79385467) is 3-(2-amino-4-methylanilino)-N-cyclopropylpropanamide.
What is the SMILES notation for 3-(2-amino-4-methylanilino)-N-cyclopropylpropanamide?
The canonical SMILES for 3-(2-amino-4-methylanilino)-N-cyclopropylpropanamide is Cc1ccc(NCCC(=O)NC2CC2)c(N)c1.
What is the InChIKey of 3-(2-amino-4-methylanilino)-N-cyclopropylpropanamide?
The InChIKey is BFOFYWWEVSWLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-2-5-12(11(14)8-9)15-7-6-13(17)16-10-3-4-10/h2,5,8,10,15H,3-4,6-7,14H2,1H3,(H,16,17).
What are the key properties of 3-(2-amino-4-methylanilino)-N-cyclopropylpropanamide?
3-(2-amino-4-methylanilino)-N-cyclopropylpropanamide has a molecular weight of 233.31 g/mol, XLogP of 1.66, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4-methylanilino)-N-cyclopropylpropanamide is sourced from PubChem (CID 79385467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).