2-(5-amino-N,2-dimethylanilino)-N-cyclopropylacetamide

C13H19N3O — CID 62588683

IUPAC2-(5-amino-N,2-dimethylanilino)-N-cyclopropylacetamide
SMILESCc1ccc(N)cc1N(C)CC(=O)NC1CC1
InChIInChI=1S/C13H19N3O/c1-9-3-4-10(14)7-12(9)16(2)8-13(17)15-11-5-6-11/h3-4,7,11H,5-6,8,14H2,1-2H3,(H,15,17)
InChIKeyMCICOVODFMHGKE-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.29
Rot. Bonds4

About 2-(5-amino-N,2-dimethylanilino)-N-cyclopropylacetamide

2-(5-amino-N,2-dimethylanilino)-N-cyclopropylacetamide (PubChem CID 62588683) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(5-amino-N,2-dimethylanilino)-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-(5-amino-N,2-dimethylanilino)-N-cyclopropylacetamide
PubChem CID62588683
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-(5-amino-N,2-dimethylanilino)-N-cyclopropylacetamide
SMILESCc1ccc(N)cc1N(C)CC(=O)NC1CC1
InChIInChI=1S/C13H19N3O/c1-9-3-4-10(14)7-12(9)16(2)8-13(17)15-11-5-6-11/h3-4,7,11H,5-6,8,14H2,1-2H3,(H,15,17)
InChIKeyMCICOVODFMHGKE-UHFFFAOYSA-N
XLogP1.29
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-2-[4-(hydroxymethyl)-N,2-dimethylanilino]acetamide
CID 62122234
2-[[2-(4-amino-2-methylanilino)-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
CID 43574823
2-[(6-aminoquinolin-2-yl)-methylamino]-N-cyclopropylacetamide
CID 43577856
2-(2-amino-4-cyano-N-methylanilino)-N-cyclopropylacetamide
CID 43577880
3-amino-4-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-methylbenzamide
CID 82989263
methyl 4-amino-3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]benzoate
CID 82785492
2-[(5-aminopyrimidin-2-yl)-methylamino]-N-cyclopropylacetamide
CID 61145458
2-[[4-amino-2-(trifluoromethyl)phenyl]methyl-methylamino]-N-cyclopropylacetamide
CID 81117715
5-amino-N-(4-ethylcyclohexyl)-2-methylbenzamide
CID 61466325
2-[5-chloro-N-methyl-2-(propylaminomethyl)anilino]-N-cyclopropylacetamide
CID 114850140
2-amino-5-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]pyridine-4-carboxamide
CID 114194996
2-(3-amino-N-methylanilino)-N-(oxan-4-yl)acetamide
CID 63098177

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-N,2-dimethylanilino)-N-cyclopropylacetamide?
The IUPAC name of 2-(5-amino-N,2-dimethylanilino)-N-cyclopropylacetamide (CID 62588683) is 2-(5-amino-N,2-dimethylanilino)-N-cyclopropylacetamide.
What is the SMILES notation for 2-(5-amino-N,2-dimethylanilino)-N-cyclopropylacetamide?
The canonical SMILES for 2-(5-amino-N,2-dimethylanilino)-N-cyclopropylacetamide is Cc1ccc(N)cc1N(C)CC(=O)NC1CC1.
What is the InChIKey of 2-(5-amino-N,2-dimethylanilino)-N-cyclopropylacetamide?
The InChIKey is MCICOVODFMHGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-3-4-10(14)7-12(9)16(2)8-13(17)15-11-5-6-11/h3-4,7,11H,5-6,8,14H2,1-2H3,(H,15,17).
What are the key properties of 2-(5-amino-N,2-dimethylanilino)-N-cyclopropylacetamide?
2-(5-amino-N,2-dimethylanilino)-N-cyclopropylacetamide has a molecular weight of 233.31 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-N,2-dimethylanilino)-N-cyclopropylacetamide is sourced from PubChem (CID 62588683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).