methyl 2-[1-(2-methoxyphenyl)propylamino]-2-methylpropanoate

C15H23NO3 — CID 43787124

IUPACmethyl 2-[1-(2-methoxyphenyl)propylamino]-2-methylpropanoate
SMILESCCC(NC(C)(C)C(=O)OC)c1ccccc1OC
InChIInChI=1S/C15H23NO3/c1-6-12(16-15(2,3)14(17)19-5)11-9-7-8-10-13(11)18-4/h7-10,12,16H,6H2,1-5H3
InChIKeyHZFVQUPSJZYKSL-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.69
Rot. Bonds6

About methyl 2-[1-(2-methoxyphenyl)propylamino]-2-methylpropanoate

methyl 2-[1-(2-methoxyphenyl)propylamino]-2-methylpropanoate (PubChem CID 43787124) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is methyl 2-[1-(2-methoxyphenyl)propylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[1-(2-methoxyphenyl)propylamino]-2-methylpropanoate
PubChem CID43787124
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Namemethyl 2-[1-(2-methoxyphenyl)propylamino]-2-methylpropanoate
SMILESCCC(NC(C)(C)C(=O)OC)c1ccccc1OC
InChIInChI=1S/C15H23NO3/c1-6-12(16-15(2,3)14(17)19-5)11-9-7-8-10-13(11)18-4/h7-10,12,16H,6H2,1-5H3
InChIKeyHZFVQUPSJZYKSL-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-N-[1-(2-methoxyphenyl)propyl]-2-methylpropanamide
CID 62833066
N-[1-(2-methoxyphenyl)propyl]-2-methylbut-3-yn-2-amine
CID 63997272
(2R)-2-amino-N-[1-(2-methoxyphenyl)propyl]-3,3-dimethylbutanamide
CID 103928736
(1S)-1-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)propyl]propan-1-amine
CID 102356404
3-[1-(2-methoxyphenyl)propylamino]-N,2,2-trimethylpropanamide
CID 103917225
3-[1-(2-methoxyphenyl)propylamino]-2-methylbutan-2-ol
CID 65337762
2-bromo-N-[1-(2-methoxyphenyl)propyl]butanamide
CID 62855577
3-[1-(2-methoxyphenyl)propylamino]propanoic acid
CID 43774787
3-[1-(2-methoxyphenyl)propylsulfamoyl]propanoic acid
CID 43709145
N-[2-[1-(2-methoxyphenyl)propylamino]ethyl]acetamide
CID 43770341
tert-butyl N-[2-[1-(2-methoxyphenyl)propylamino]propyl]carbamate
CID 103388310
2-[1-(2-methoxyphenyl)propylamino]-N-(2-methylpropyl)acetamide
CID 115900223

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(2-methoxyphenyl)propylamino]-2-methylpropanoate?
The IUPAC name of methyl 2-[1-(2-methoxyphenyl)propylamino]-2-methylpropanoate (CID 43787124) is methyl 2-[1-(2-methoxyphenyl)propylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[1-(2-methoxyphenyl)propylamino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[1-(2-methoxyphenyl)propylamino]-2-methylpropanoate is CCC(NC(C)(C)C(=O)OC)c1ccccc1OC.
What is the InChIKey of methyl 2-[1-(2-methoxyphenyl)propylamino]-2-methylpropanoate?
The InChIKey is HZFVQUPSJZYKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-6-12(16-15(2,3)14(17)19-5)11-9-7-8-10-13(11)18-4/h7-10,12,16H,6H2,1-5H3.
What are the key properties of methyl 2-[1-(2-methoxyphenyl)propylamino]-2-methylpropanoate?
methyl 2-[1-(2-methoxyphenyl)propylamino]-2-methylpropanoate has a molecular weight of 265.35 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(2-methoxyphenyl)propylamino]-2-methylpropanoate is sourced from PubChem (CID 43787124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).