methyl 3-methyl-2-[1-(4-methylphenyl)ethylamino]pentanoate

C16H25NO2 — CID 43732410

IUPACmethyl 3-methyl-2-[1-(4-methylphenyl)ethylamino]pentanoate
SMILESCCC(C)C(NC(C)c1ccc(C)cc1)C(=O)OC
InChIInChI=1S/C16H25NO2/c1-6-12(3)15(16(18)19-5)17-13(4)14-9-7-11(2)8-10-14/h7-10,12-13,15,17H,6H2,1-5H3
InChIKeyJAFBMXBBKVCAHU-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.23
Rot. Bonds6

About methyl 3-methyl-2-[1-(4-methylphenyl)ethylamino]pentanoate

methyl 3-methyl-2-[1-(4-methylphenyl)ethylamino]pentanoate (PubChem CID 43732410) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is methyl 3-methyl-2-[1-(4-methylphenyl)ethylamino]pentanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-[1-(4-methylphenyl)ethylamino]pentanoate
PubChem CID43732410
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Namemethyl 3-methyl-2-[1-(4-methylphenyl)ethylamino]pentanoate
SMILESCCC(C)C(NC(C)c1ccc(C)cc1)C(=O)OC
InChIInChI=1S/C16H25NO2/c1-6-12(3)15(16(18)19-5)17-13(4)14-9-7-11(2)8-10-14/h7-10,12-13,15,17H,6H2,1-5H3
InChIKeyJAFBMXBBKVCAHU-UHFFFAOYSA-N
XLogP3.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[1-(4-bromophenyl)ethylamino]-3-methylpentanoate
CID 43732334
methyl 3-methyl-2-(1-thiophen-3-ylethylamino)pentanoate
CID 62089111
methyl 2-[1-(2-methoxy-5-methylphenyl)ethylamino]-3-methylpentanoate
CID 43732405
methyl 2-methyl-3-[1-(4-methylphenyl)ethylamino]butanoate
CID 79392498
ethyl 3-[[(1S)-1-(4-methylphenyl)ethyl]amino]butanoate
CID 81356889
methyl 2-[1-(2-methoxyphenyl)ethylamino]-3-methylpentanoate
CID 43732354
methyl 2-[1-(4-hydroxyphenyl)ethylamino]-3-methylbutanoate
CID 43383228
methyl 3-[1-(4-methylphenyl)ethylamino]butanoate
CID 54963886
methyl (2S)-3-methyl-2-(1-phenylethylamino)butanoate
CID 43386362
methyl (2S)-2-[1-(3,4-dimethoxyphenyl)ethylamino]-3-methylbutanoate
CID 43452132
ethyl 2-[1-(4-methylphenyl)propylamino]propanoate
CID 54960073
[2-[[(2S,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 4-methylbenzoate
CID 9018193

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-[1-(4-methylphenyl)ethylamino]pentanoate?
The IUPAC name of methyl 3-methyl-2-[1-(4-methylphenyl)ethylamino]pentanoate (CID 43732410) is methyl 3-methyl-2-[1-(4-methylphenyl)ethylamino]pentanoate.
What is the SMILES notation for methyl 3-methyl-2-[1-(4-methylphenyl)ethylamino]pentanoate?
The canonical SMILES for methyl 3-methyl-2-[1-(4-methylphenyl)ethylamino]pentanoate is CCC(C)C(NC(C)c1ccc(C)cc1)C(=O)OC.
What is the InChIKey of methyl 3-methyl-2-[1-(4-methylphenyl)ethylamino]pentanoate?
The InChIKey is JAFBMXBBKVCAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-6-12(3)15(16(18)19-5)17-13(4)14-9-7-11(2)8-10-14/h7-10,12-13,15,17H,6H2,1-5H3.
What are the key properties of methyl 3-methyl-2-[1-(4-methylphenyl)ethylamino]pentanoate?
methyl 3-methyl-2-[1-(4-methylphenyl)ethylamino]pentanoate has a molecular weight of 263.38 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-[1-(4-methylphenyl)ethylamino]pentanoate is sourced from PubChem (CID 43732410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).