methyl 2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]benzoate

C15H23NO3 — CID 81412796

IUPACmethyl 2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]benzoate
SMILESCCC(CC)(CO)CNc1ccccc1C(=O)OC
InChIInChI=1S/C15H23NO3/c1-4-15(5-2,11-17)10-16-13-9-7-6-8-12(13)14(18)19-3/h6-9,16-17H,4-5,10-11H2,1-3H3
InChIKeySJBYAAYSZNCMPL-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.68
Rot. Bonds7

About methyl 2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]benzoate

methyl 2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]benzoate (PubChem CID 81412796) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is methyl 2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]benzoate
PubChem CID81412796
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Namemethyl 2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]benzoate
SMILESCCC(CC)(CO)CNc1ccccc1C(=O)OC
InChIInChI=1S/C15H23NO3/c1-4-15(5-2,11-17)10-16-13-9-7-6-8-12(13)14(18)19-3/h6-9,16-17H,4-5,10-11H2,1-3H3
InChIKeySJBYAAYSZNCMPL-UHFFFAOYSA-N
XLogP2.68
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2,2-dimethylpropylamino)benzoate
CID 61325547
2-ethyl-2-[(2-methoxyanilino)methyl]butan-1-ol
CID 81410769
3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-2-methylbenzoic acid
CID 81413532
ethyl 2-[[2-(hydroxymethyl)-2-methylbutyl]amino]benzoate
CID 81413023
2-ethyl-2-[[2-(2,2,2-trifluoroethoxy)anilino]methyl]butan-1-ol
CID 81400610
2-[(2-amino-3-methoxyanilino)methyl]-2-ethylbutan-1-ol
CID 106251525
methyl 2-(2-hydroxypropylamino)benzoate
CID 13220321
3-(2-methoxycarbonylanilino)propanoic acid
CID 15046919
methyl 2-[(2-chlorophenyl)methylamino]benzoate
CID 43087858
methyl 2-(2,2-dimethylpropanoylamino)benzoate
CID 546733
4-[(2-methoxycarbonylanilino)methyl]benzoic acid
CID 65348011
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(propan-2-ylamino)benzamide
CID 106257692

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]benzoate (CID 81412796) is methyl 2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]benzoate is CCC(CC)(CO)CNc1ccccc1C(=O)OC.
What is the InChIKey of methyl 2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]benzoate?
The InChIKey is SJBYAAYSZNCMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-15(5-2,11-17)10-16-13-9-7-6-8-12(13)14(18)19-3/h6-9,16-17H,4-5,10-11H2,1-3H3.
What are the key properties of methyl 2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]benzoate?
methyl 2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]benzoate has a molecular weight of 265.35 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]benzoate is sourced from PubChem (CID 81412796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).