methyl 2-[1-(2-methoxyphenyl)ethylamino]-3-methylpentanoate

C16H25NO3 — CID 43732354

IUPACmethyl 2-[1-(2-methoxyphenyl)ethylamino]-3-methylpentanoate
SMILESCCC(C)C(NC(C)c1ccccc1OC)C(=O)OC
InChIInChI=1S/C16H25NO3/c1-6-11(2)15(16(18)20-5)17-12(3)13-9-7-8-10-14(13)19-4/h7-12,15,17H,6H2,1-5H3
InChIKeyNGRUUSCLXYQLIQ-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.93
Rot. Bonds7

About methyl 2-[1-(2-methoxyphenyl)ethylamino]-3-methylpentanoate

methyl 2-[1-(2-methoxyphenyl)ethylamino]-3-methylpentanoate (PubChem CID 43732354) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is methyl 2-[1-(2-methoxyphenyl)ethylamino]-3-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[1-(2-methoxyphenyl)ethylamino]-3-methylpentanoate
PubChem CID43732354
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Namemethyl 2-[1-(2-methoxyphenyl)ethylamino]-3-methylpentanoate
SMILESCCC(C)C(NC(C)c1ccccc1OC)C(=O)OC
InChIInChI=1S/C16H25NO3/c1-6-11(2)15(16(18)20-5)17-12(3)13-9-7-8-10-14(13)19-4/h7-12,15,17H,6H2,1-5H3
InChIKeyNGRUUSCLXYQLIQ-UHFFFAOYSA-N
XLogP2.93
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[1-(2-methoxy-5-methylphenyl)ethylamino]-3-methylpentanoate
CID 43732405
methyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanoate
CID 81396743
ethyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanoate
CID 81387523
(2S,3S)-2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylpentanamide
CID 81387074
(2S,3S)-2-amino-N-[1-(2-methoxyphenyl)ethyl]-3-methylpentanamide
CID 61260006
(1R)-1-(2-methoxyphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanamine
CID 11346678
methyl 2-[1-(2-propan-2-yloxyphenyl)ethylamino]butanoate
CID 115282442
methyl 3-methyl-2-[1-(4-methylphenyl)ethylamino]pentanoate
CID 43732410
N-[1-(2-methoxyphenyl)ethyl]-2-methylpentan-3-amine
CID 43766762
methyl 2-[1-(2-methoxy-5-methylphenyl)ethylamino]butanoate
CID 115352551
methyl 3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-methylpropanoate
CID 81387841
methyl 3-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-methylpropanoate
CID 81387774

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(2-methoxyphenyl)ethylamino]-3-methylpentanoate?
The IUPAC name of methyl 2-[1-(2-methoxyphenyl)ethylamino]-3-methylpentanoate (CID 43732354) is methyl 2-[1-(2-methoxyphenyl)ethylamino]-3-methylpentanoate.
What is the SMILES notation for methyl 2-[1-(2-methoxyphenyl)ethylamino]-3-methylpentanoate?
The canonical SMILES for methyl 2-[1-(2-methoxyphenyl)ethylamino]-3-methylpentanoate is CCC(C)C(NC(C)c1ccccc1OC)C(=O)OC.
What is the InChIKey of methyl 2-[1-(2-methoxyphenyl)ethylamino]-3-methylpentanoate?
The InChIKey is NGRUUSCLXYQLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-6-11(2)15(16(18)20-5)17-12(3)13-9-7-8-10-14(13)19-4/h7-12,15,17H,6H2,1-5H3.
What are the key properties of methyl 2-[1-(2-methoxyphenyl)ethylamino]-3-methylpentanoate?
methyl 2-[1-(2-methoxyphenyl)ethylamino]-3-methylpentanoate has a molecular weight of 279.38 g/mol, XLogP of 2.93, 7 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)ethylamino]-3-methylpentanoate is sourced from PubChem (CID 43732354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).