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

C15H23NO3 — CID 115352551

IUPACmethyl 2-[1-(2-methoxy-5-methylphenyl)ethylamino]butanoate
SMILESCCC(NC(C)c1cc(C)ccc1OC)C(=O)OC
InChIInChI=1S/C15H23NO3/c1-6-13(15(17)19-5)16-11(3)12-9-10(2)7-8-14(12)18-4/h7-9,11,13,16H,6H2,1-5H3
InChIKeyXXRZIIIZXYGUSW-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.61
Rot. Bonds6

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

methyl 2-[1-(2-methoxy-5-methylphenyl)ethylamino]butanoate (PubChem CID 115352551) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is methyl 2-[1-(2-methoxy-5-methylphenyl)ethylamino]butanoate.

Molecular Properties

Compound Namemethyl 2-[1-(2-methoxy-5-methylphenyl)ethylamino]butanoate
PubChem CID115352551
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Namemethyl 2-[1-(2-methoxy-5-methylphenyl)ethylamino]butanoate
SMILESCCC(NC(C)c1cc(C)ccc1OC)C(=O)OC
InChIInChI=1S/C15H23NO3/c1-6-13(15(17)19-5)16-11(3)12-9-10(2)7-8-14(12)18-4/h7-9,11,13,16H,6H2,1-5H3
InChIKeyXXRZIIIZXYGUSW-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
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-[1-(5-fluoro-2-methoxyphenyl)ethylamino]butanoate
CID 115282443
methyl 2-[1-(3,4-dimethoxyphenyl)ethylamino]butanoate
CID 115353213
(2S)-2-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 35787670
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
methyl 2-[1-(2-propan-2-yloxyphenyl)ethylamino]butanoate
CID 115282442
methyl 2-[1-(2-methoxyphenyl)ethylamino]-3-methylpentanoate
CID 43732354
1-(1-hydroxybutan-2-yl)-3-[1-(2-methoxy-5-methylphenyl)ethyl]urea
CID 110892420
2-amino-N-[1-(2-methoxy-5-methylphenyl)ethyl]pentanamide
CID 43703461
2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 47116871
methyl 2-[1-[2-(difluoromethoxy)phenyl]ethylamino]butanoate
CID 115352796

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(2-methoxy-5-methylphenyl)ethylamino]butanoate?
The IUPAC name of methyl 2-[1-(2-methoxy-5-methylphenyl)ethylamino]butanoate (CID 115352551) is methyl 2-[1-(2-methoxy-5-methylphenyl)ethylamino]butanoate.
What is the SMILES notation for methyl 2-[1-(2-methoxy-5-methylphenyl)ethylamino]butanoate?
The canonical SMILES for methyl 2-[1-(2-methoxy-5-methylphenyl)ethylamino]butanoate is CCC(NC(C)c1cc(C)ccc1OC)C(=O)OC.
What is the InChIKey of methyl 2-[1-(2-methoxy-5-methylphenyl)ethylamino]butanoate?
The InChIKey is XXRZIIIZXYGUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-6-13(15(17)19-5)16-11(3)12-9-10(2)7-8-14(12)18-4/h7-9,11,13,16H,6H2,1-5H3.
What are the key properties of methyl 2-[1-(2-methoxy-5-methylphenyl)ethylamino]butanoate?
methyl 2-[1-(2-methoxy-5-methylphenyl)ethylamino]butanoate has a molecular weight of 265.35 g/mol, XLogP of 2.61, 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-methoxy-5-methylphenyl)ethylamino]butanoate is sourced from PubChem (CID 115352551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).