2-methylpropyl 2-(2-methylpropylamino)benzoate

C15H23NO2 — CID 19428899

IUPAC2-methylpropyl 2-(2-methylpropylamino)benzoate
SMILESCC(C)CNc1ccccc1C(=O)OCC(C)C
InChIInChI=1S/C15H23NO2/c1-11(2)9-16-14-8-6-5-7-13(14)15(17)18-10-12(3)4/h5-8,11-12,16H,9-10H2,1-4H3
InChIKeyXFNSNHASAKUTOE-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.57
Rot. Bonds6

About 2-methylpropyl 2-(2-methylpropylamino)benzoate

2-methylpropyl 2-(2-methylpropylamino)benzoate (PubChem CID 19428899) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-methylpropyl 2-(2-methylpropylamino)benzoate.

Molecular Properties

Compound Name2-methylpropyl 2-(2-methylpropylamino)benzoate
PubChem CID19428899
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-methylpropyl 2-(2-methylpropylamino)benzoate
SMILESCC(C)CNc1ccccc1C(=O)OCC(C)C
InChIInChI=1S/C15H23NO2/c1-11(2)9-16-14-8-6-5-7-13(14)15(17)18-10-12(3)4/h5-8,11-12,16H,9-10H2,1-4H3
InChIKeyXFNSNHASAKUTOE-UHFFFAOYSA-N
XLogP3.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpropyl 2-[(3-chloro-2-hydroxypropyl)amino]benzoate
CID 168636561
2-methylpropyl 2-(2-methylpropanoyl)benzoate
CID 142743653
2-O-(2-chloropropyl) 1-O-(2-methylpropyl) benzene-1,2-dicarboxylate
CID 91720151
methyl 2-(2-hydroxypropylamino)benzoate
CID 13220321
2-methylpropyl 2-benzoylbenzoate
CID 142743650
2-methylpropyl 2-(2-methylpropoxysulfonyl)benzoate
CID 90417764
2-(ethylamino)-N-(2-methylpropoxy)benzamide
CID 82723063
2-methylpropyl 2-[2-(methylamino)ethyl]benzoate
CID 104548518
ethyl 2-[[6-(2-methylpropylamino)pyrimidin-4-yl]amino]benzoate
CID 112855434
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
CID 7602816
methyl 2-(2-methyldecylamino)benzoate
CID 3023984
ethyl 2-[[3-(4-methoxyphenyl)-2-methylpropyl]amino]benzoate
CID 139608521

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-(2-methylpropylamino)benzoate?
The IUPAC name of 2-methylpropyl 2-(2-methylpropylamino)benzoate (CID 19428899) is 2-methylpropyl 2-(2-methylpropylamino)benzoate.
What is the SMILES notation for 2-methylpropyl 2-(2-methylpropylamino)benzoate?
The canonical SMILES for 2-methylpropyl 2-(2-methylpropylamino)benzoate is CC(C)CNc1ccccc1C(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl 2-(2-methylpropylamino)benzoate?
The InChIKey is XFNSNHASAKUTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11(2)9-16-14-8-6-5-7-13(14)15(17)18-10-12(3)4/h5-8,11-12,16H,9-10H2,1-4H3.
What are the key properties of 2-methylpropyl 2-(2-methylpropylamino)benzoate?
2-methylpropyl 2-(2-methylpropylamino)benzoate has a molecular weight of 249.35 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-(2-methylpropylamino)benzoate is sourced from PubChem (CID 19428899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).