tert-butyl 2-(2,4-dimethylanilino)propanoate

C15H23NO2 — CID 66337211

IUPACtert-butyl 2-(2,4-dimethylanilino)propanoate
SMILESCc1ccc(NC(C)C(=O)OC(C)(C)C)c(C)c1
InChIInChI=1S/C15H23NO2/c1-10-7-8-13(11(2)9-10)16-12(3)14(17)18-15(4,5)6/h7-9,12,16H,1-6H3
InChIKeyMRDQYEFHRIXXKE-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.45
Rot. Bonds3

About tert-butyl 2-(2,4-dimethylanilino)propanoate

tert-butyl 2-(2,4-dimethylanilino)propanoate (PubChem CID 66337211) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is tert-butyl 2-(2,4-dimethylanilino)propanoate.

Molecular Properties

Compound Nametert-butyl 2-(2,4-dimethylanilino)propanoate
PubChem CID66337211
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Nametert-butyl 2-(2,4-dimethylanilino)propanoate
SMILESCc1ccc(NC(C)C(=O)OC(C)(C)C)c(C)c1
InChIInChI=1S/C15H23NO2/c1-10-7-8-13(11(2)9-10)16-12(3)14(17)18-15(4,5)6/h7-9,12,16H,1-6H3
InChIKeyMRDQYEFHRIXXKE-UHFFFAOYSA-N
XLogP3.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-2-(2,4-dimethylanilino)propanoate
CID 94188227
2-(2,4-dimethylanilino)propanoic acid
CID 13138173
2-(2,4-dimethylanilino)propanehydrazide
CID 23861884
tert-butyl 2-(2,5-difluoro-4-methylanilino)propanoate
CID 103585492
tert-butyl 2-(2,5-dichloroanilino)propanoate
CID 66337577
tert-butyl 2-(4-fluoro-3-methylanilino)propanoate
CID 64687141
methyl 2-(2-amino-4-methylanilino)propanoate
CID 61499476
tert-butyl 2-(3-fluoro-5-methylanilino)propanoate
CID 79054844
(2R)-2-(2,4-dimethylanilino)-N-(methylcarbamoyl)propanamide
CID 40973673
methyl 2-(4-chloro-2-methylanilino)propanoate
CID 60666871
2-(2,4-dimethylanilino)-1-piperidin-1-ylpropan-1-one
CID 43083827
methyl 4-[(1-methoxy-1-oxopropan-2-yl)amino]-3-methylbenzoate
CID 66174126

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2,4-dimethylanilino)propanoate?
The IUPAC name of tert-butyl 2-(2,4-dimethylanilino)propanoate (CID 66337211) is tert-butyl 2-(2,4-dimethylanilino)propanoate.
What is the SMILES notation for tert-butyl 2-(2,4-dimethylanilino)propanoate?
The canonical SMILES for tert-butyl 2-(2,4-dimethylanilino)propanoate is Cc1ccc(NC(C)C(=O)OC(C)(C)C)c(C)c1.
What is the InChIKey of tert-butyl 2-(2,4-dimethylanilino)propanoate?
The InChIKey is MRDQYEFHRIXXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-10-7-8-13(11(2)9-10)16-12(3)14(17)18-15(4,5)6/h7-9,12,16H,1-6H3.
What are the key properties of tert-butyl 2-(2,4-dimethylanilino)propanoate?
tert-butyl 2-(2,4-dimethylanilino)propanoate has a molecular weight of 249.35 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2,4-dimethylanilino)propanoate is sourced from PubChem (CID 66337211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).