cyclobutyl 2-(4-methylanilino)acetate

C13H17NO2 — CID 62217583

IUPACcyclobutyl 2-(4-methylanilino)acetate
SMILESCc1ccc(NCC(=O)OC2CCC2)cc1
InChIInChI=1S/C13H17NO2/c1-10-5-7-11(8-6-10)14-9-13(15)16-12-3-2-4-12/h5-8,12,14H,2-4,9H2,1H3
InChIKeyAHARDBQTPXUDAC-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.50
Rot. Bonds4

About cyclobutyl 2-(4-methylanilino)acetate

cyclobutyl 2-(4-methylanilino)acetate (PubChem CID 62217583) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is cyclobutyl 2-(4-methylanilino)acetate.

Molecular Properties

Compound Namecyclobutyl 2-(4-methylanilino)acetate
PubChem CID62217583
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Namecyclobutyl 2-(4-methylanilino)acetate
SMILESCc1ccc(NCC(=O)OC2CCC2)cc1
InChIInChI=1S/C13H17NO2/c1-10-5-7-11(8-6-10)14-9-13(15)16-12-3-2-4-12/h5-8,12,14H,2-4,9H2,1H3
InChIKeyAHARDBQTPXUDAC-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cycloheptyl 2-anilinoacetate
CID 61303915
(3-methylcyclohexyl) 2-(4-chloroanilino)acetate
CID 61303304
oxan-4-yl 2-(4-hydroxyanilino)acetate
CID 61287147
cyclohexyl 2-(4-methyl-2-nitroanilino)acetate
CID 133389893
cyclopentyl 2-(cyclohexylamino)acetate;4-methylbenzenesulfonic acid
CID 89497102
cyclobutyl 3-anilinopropanoate
CID 62217585
cyclohexyl 4-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]benzoate
CID 7636802
2-cyclopentyl-N'-[2-(4-methylanilino)acetyl]acetohydrazide
CID 18140158
cyclohexyl 2-(4-methylphenyl)sulfonylacetate
CID 139933547
cyclopentyl 2-(thiophen-2-ylamino)acetate
CID 18415694
ethane;1-(4-methylanilino)propan-2-one
CID 143614458
pentyl 2-(4-methylanilino)acetate
CID 61303910

Frequently Asked Questions

What is the IUPAC name of cyclobutyl 2-(4-methylanilino)acetate?
The IUPAC name of cyclobutyl 2-(4-methylanilino)acetate (CID 62217583) is cyclobutyl 2-(4-methylanilino)acetate.
What is the SMILES notation for cyclobutyl 2-(4-methylanilino)acetate?
The canonical SMILES for cyclobutyl 2-(4-methylanilino)acetate is Cc1ccc(NCC(=O)OC2CCC2)cc1.
What is the InChIKey of cyclobutyl 2-(4-methylanilino)acetate?
The InChIKey is AHARDBQTPXUDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-10-5-7-11(8-6-10)14-9-13(15)16-12-3-2-4-12/h5-8,12,14H,2-4,9H2,1H3.
What are the key properties of cyclobutyl 2-(4-methylanilino)acetate?
cyclobutyl 2-(4-methylanilino)acetate has a molecular weight of 219.28 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl 2-(4-methylanilino)acetate is sourced from PubChem (CID 62217583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).