2-(2-amino-4,5-dimethylanilino)-N-cyclopropylacetamide

C13H19N3O — CID 114281228

IUPAC2-(2-amino-4,5-dimethylanilino)-N-cyclopropylacetamide
SMILESCc1cc(N)c(NCC(=O)NC2CC2)cc1C
InChIInChI=1S/C13H19N3O/c1-8-5-11(14)12(6-9(8)2)15-7-13(17)16-10-3-4-10/h5-6,10,15H,3-4,7,14H2,1-2H3,(H,16,17)
InChIKeyONVJKYYXKRLNDG-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.58
Rot. Bonds4

About 2-(2-amino-4,5-dimethylanilino)-N-cyclopropylacetamide

2-(2-amino-4,5-dimethylanilino)-N-cyclopropylacetamide (PubChem CID 114281228) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(2-amino-4,5-dimethylanilino)-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-(2-amino-4,5-dimethylanilino)-N-cyclopropylacetamide
PubChem CID114281228
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-(2-amino-4,5-dimethylanilino)-N-cyclopropylacetamide
SMILESCc1cc(N)c(NCC(=O)NC2CC2)cc1C
InChIInChI=1S/C13H19N3O/c1-8-5-11(14)12(6-9(8)2)15-7-13(17)16-10-3-4-10/h5-6,10,15H,3-4,7,14H2,1-2H3,(H,16,17)
InChIKeyONVJKYYXKRLNDG-UHFFFAOYSA-N
XLogP1.58
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.58
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
2-(2-amino-4-iodoanilino)-N-cyclopropylacetamide
CID 66066860
4-amino-3-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 63360878
2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)-N-cyclopropylacetamide
CID 63594191
2-[(3-amino-4-pyridinyl)amino]-N-cyclopropylacetamide
CID 43568204
2-(2-amino-5-sulfamoylanilino)-N-cyclopropylacetamide
CID 82907918
4-[[2-(cyclopropylamino)-2-oxoethyl]amino]-3-methylbenzoic acid
CID 63212554
2-[(6-amino-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]-N-cyclopropylacetamide
CID 43568180
2-[2-amino-5-(ethylsulfamoyl)anilino]-N-cyclopropylacetamide
CID 82899994
methyl 5-amino-2-[[2-(cyclopropylamino)-2-oxoethyl]amino]benzoate
CID 61305550
N-cyclopentyl-2-(3,4-dimethylanilino)acetamide
CID 28580510
N-cyclohexyl-2-(2,5-dichloro-4-methylanilino)acetamide
CID 104726780

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4,5-dimethylanilino)-N-cyclopropylacetamide?
The IUPAC name of 2-(2-amino-4,5-dimethylanilino)-N-cyclopropylacetamide (CID 114281228) is 2-(2-amino-4,5-dimethylanilino)-N-cyclopropylacetamide.
What is the SMILES notation for 2-(2-amino-4,5-dimethylanilino)-N-cyclopropylacetamide?
The canonical SMILES for 2-(2-amino-4,5-dimethylanilino)-N-cyclopropylacetamide is Cc1cc(N)c(NCC(=O)NC2CC2)cc1C.
What is the InChIKey of 2-(2-amino-4,5-dimethylanilino)-N-cyclopropylacetamide?
The InChIKey is ONVJKYYXKRLNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-8-5-11(14)12(6-9(8)2)15-7-13(17)16-10-3-4-10/h5-6,10,15H,3-4,7,14H2,1-2H3,(H,16,17).
What are the key properties of 2-(2-amino-4,5-dimethylanilino)-N-cyclopropylacetamide?
2-(2-amino-4,5-dimethylanilino)-N-cyclopropylacetamide has a molecular weight of 233.31 g/mol, XLogP of 1.58, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4,5-dimethylanilino)-N-cyclopropylacetamide is sourced from PubChem (CID 114281228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).