methyl 2-[1-(2-methoxy-5-methylphenyl)ethylamino]-3-methylpentanoate

C17H27NO3 — CID 43732405

IUPACmethyl 2-[1-(2-methoxy-5-methylphenyl)ethylamino]-3-methylpentanoate
SMILESCCC(C)C(NC(C)c1cc(C)ccc1OC)C(=O)OC
InChIInChI=1S/C17H27NO3/c1-7-12(3)16(17(19)21-6)18-13(4)14-10-11(2)8-9-15(14)20-5/h8-10,12-13,16,18H,7H2,1-6H3
InChIKeyWJDAFXWPKTZBCW-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.24
Rot. Bonds7

About methyl 2-[1-(2-methoxy-5-methylphenyl)ethylamino]-3-methylpentanoate

methyl 2-[1-(2-methoxy-5-methylphenyl)ethylamino]-3-methylpentanoate (PubChem CID 43732405) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is methyl 2-[1-(2-methoxy-5-methylphenyl)ethylamino]-3-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[1-(2-methoxy-5-methylphenyl)ethylamino]-3-methylpentanoate
PubChem CID43732405
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Namemethyl 2-[1-(2-methoxy-5-methylphenyl)ethylamino]-3-methylpentanoate
SMILESCCC(C)C(NC(C)c1cc(C)ccc1OC)C(=O)OC
InChIInChI=1S/C17H27NO3/c1-7-12(3)16(17(19)21-6)18-13(4)14-10-11(2)8-9-15(14)20-5/h8-10,12-13,16,18H,7H2,1-6H3
InChIKeyWJDAFXWPKTZBCW-UHFFFAOYSA-N
XLogP3.24
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[1-(2-methoxy-5-methylphenyl)ethylamino]butanoate
CID 115352551
methyl 2-[1-(2-methoxyphenyl)ethylamino]-3-methylpentanoate
CID 43732354
methyl 3-methyl-2-[1-(4-methylphenyl)ethylamino]pentanoate
CID 43732410
2-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]butanamide
CID 78813044
1-ethylsulfonyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]propan-2-amine
CID 115889898
2-amino-N-[1-(2-methoxy-5-methylphenyl)ethyl]pentanamide
CID 43703461
1-(1-hydroxybutan-2-yl)-3-[1-(2-methoxy-5-methylphenyl)ethyl]urea
CID 110892420
2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 47116871
methyl 2-[1-(5-fluoro-2-methoxyphenyl)ethylamino]butanoate
CID 115282443
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 60842890
(2S)-2-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 35787670
3-amino-2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 106111523

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(2-methoxy-5-methylphenyl)ethylamino]-3-methylpentanoate?
The IUPAC name of methyl 2-[1-(2-methoxy-5-methylphenyl)ethylamino]-3-methylpentanoate (CID 43732405) is methyl 2-[1-(2-methoxy-5-methylphenyl)ethylamino]-3-methylpentanoate.
What is the SMILES notation for methyl 2-[1-(2-methoxy-5-methylphenyl)ethylamino]-3-methylpentanoate?
The canonical SMILES for methyl 2-[1-(2-methoxy-5-methylphenyl)ethylamino]-3-methylpentanoate is CCC(C)C(NC(C)c1cc(C)ccc1OC)C(=O)OC.
What is the InChIKey of methyl 2-[1-(2-methoxy-5-methylphenyl)ethylamino]-3-methylpentanoate?
The InChIKey is WJDAFXWPKTZBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-7-12(3)16(17(19)21-6)18-13(4)14-10-11(2)8-9-15(14)20-5/h8-10,12-13,16,18H,7H2,1-6H3.
What are the key properties of methyl 2-[1-(2-methoxy-5-methylphenyl)ethylamino]-3-methylpentanoate?
methyl 2-[1-(2-methoxy-5-methylphenyl)ethylamino]-3-methylpentanoate has a molecular weight of 293.41 g/mol, XLogP of 3.24, 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-methoxy-5-methylphenyl)ethylamino]-3-methylpentanoate is sourced from PubChem (CID 43732405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).