methyl 2-[(4-methoxy-4-methylpentan-2-yl)amino]benzoate

C15H23NO3 — CID 43321970

IUPACmethyl 2-[(4-methoxy-4-methylpentan-2-yl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(C)CC(C)(C)OC
InChIInChI=1S/C15H23NO3/c1-11(10-15(2,3)19-5)16-13-9-7-6-8-12(13)14(17)18-4/h6-9,11,16H,10H2,1-5H3
InChIKeyBAIOOROUMYAHHA-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.09
Rot. Bonds6

About methyl 2-[(4-methoxy-4-methylpentan-2-yl)amino]benzoate

methyl 2-[(4-methoxy-4-methylpentan-2-yl)amino]benzoate (PubChem CID 43321970) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is methyl 2-[(4-methoxy-4-methylpentan-2-yl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(4-methoxy-4-methylpentan-2-yl)amino]benzoate
PubChem CID43321970
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Namemethyl 2-[(4-methoxy-4-methylpentan-2-yl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(C)CC(C)(C)OC
InChIInChI=1S/C15H23NO3/c1-11(10-15(2,3)19-5)16-13-9-7-6-8-12(13)14(17)18-4/h6-9,11,16H,10H2,1-5H3
InChIKeyBAIOOROUMYAHHA-UHFFFAOYSA-N
XLogP3.09
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N-(4-methoxy-4-methylpentan-2-yl)aniline
CID 43147091
methyl 2-(hexan-2-ylamino)benzoate
CID 43774536
tert-butyl 2-[[(2S)-1-methoxypropan-2-yl]amino]benzoate
CID 150504072
methyl 2-[[(2R)-octan-2-yl]amino]benzoate
CID 93257053
methyl 2-(2-methylpentan-3-ylamino)benzoate
CID 43774537
methyl 2-(2-hydroxypropylamino)benzoate
CID 13220321
methyl 2-(2,2-dimethylpropylamino)benzoate
CID 61325547
N-(4-methoxy-4-methylpentan-2-yl)-2-(trifluoromethylsulfanyl)aniline
CID 43676612
methyl 2-[1-(4-methylphenyl)ethylamino]benzoate
CID 43322026
N-(4-methoxy-4-methylpentan-2-yl)quinolin-8-amine
CID 43146991
methyl 2-(2,2-dimethylpropanoylamino)benzoate
CID 546733
methyl 2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]benzoate
CID 47122957

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-methoxy-4-methylpentan-2-yl)amino]benzoate?
The IUPAC name of methyl 2-[(4-methoxy-4-methylpentan-2-yl)amino]benzoate (CID 43321970) is methyl 2-[(4-methoxy-4-methylpentan-2-yl)amino]benzoate.
What is the SMILES notation for methyl 2-[(4-methoxy-4-methylpentan-2-yl)amino]benzoate?
The canonical SMILES for methyl 2-[(4-methoxy-4-methylpentan-2-yl)amino]benzoate is COC(=O)c1ccccc1NC(C)CC(C)(C)OC.
What is the InChIKey of methyl 2-[(4-methoxy-4-methylpentan-2-yl)amino]benzoate?
The InChIKey is BAIOOROUMYAHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(10-15(2,3)19-5)16-13-9-7-6-8-12(13)14(17)18-4/h6-9,11,16H,10H2,1-5H3.
What are the key properties of methyl 2-[(4-methoxy-4-methylpentan-2-yl)amino]benzoate?
methyl 2-[(4-methoxy-4-methylpentan-2-yl)amino]benzoate has a molecular weight of 265.35 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-methoxy-4-methylpentan-2-yl)amino]benzoate is sourced from PubChem (CID 43321970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).