methyl 2-[3-(2-methylpentanoylamino)phenoxy]acetate

C15H21NO4 — CID 60750976

IUPACmethyl 2-[3-(2-methylpentanoylamino)phenoxy]acetate
SMILESCCCC(C)C(=O)Nc1cccc(OCC(=O)OC)c1
InChIInChI=1S/C15H21NO4/c1-4-6-11(2)15(18)16-12-7-5-8-13(9-12)20-10-14(17)19-3/h5,7-9,11H,4,6,10H2,1-3H3,(H,16,18)
InChIKeyGLPJFWHXLJMMQI-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.61
Rot. Bonds7

About methyl 2-[3-(2-methylpentanoylamino)phenoxy]acetate

methyl 2-[3-(2-methylpentanoylamino)phenoxy]acetate (PubChem CID 60750976) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl 2-[3-(2-methylpentanoylamino)phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(2-methylpentanoylamino)phenoxy]acetate
PubChem CID60750976
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Namemethyl 2-[3-(2-methylpentanoylamino)phenoxy]acetate
SMILESCCCC(C)C(=O)Nc1cccc(OCC(=O)OC)c1
InChIInChI=1S/C15H21NO4/c1-4-6-11(2)15(18)16-12-7-5-8-13(9-12)20-10-14(17)19-3/h5,7-9,11H,4,6,10H2,1-3H3,(H,16,18)
InChIKeyGLPJFWHXLJMMQI-UHFFFAOYSA-N
XLogP2.61
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-aminoethoxy)phenyl]-2-methylpentanamide
CID 43369471
methyl 2-[3-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetate
CID 119713766
2-[3-(2-methylbutanoylamino)phenoxy]acetic acid
CID 17342096
methyl 2-[3-(2-cyclopropylpropanoylamino)phenoxy]acetate
CID 79506458
methyl 2-[3-[(2,2-diphenylacetyl)amino]phenoxy]acetate
CID 1301261
2-[3-[[3-(ethylamino)-2-methylpropanoyl]amino]phenoxy]acetic acid
CID 63771678
methyl 2-[3-(diethylcarbamoylamino)phenoxy]acetate
CID 112728907
(2R)-N-(3-aminophenyl)-2-methylpentanamide
CID 40788841
(2S)-N-(3-aminophenyl)-2-methylpentanamide
CID 40788842
methyl 2-[3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
CID 6420588
2-methyl-N-phenylpentanamide
CID 4627801
methyl 2-[3-[(2-phenylacetyl)amino]phenoxy]acetate
CID 891990

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(2-methylpentanoylamino)phenoxy]acetate?
The IUPAC name of methyl 2-[3-(2-methylpentanoylamino)phenoxy]acetate (CID 60750976) is methyl 2-[3-(2-methylpentanoylamino)phenoxy]acetate.
What is the SMILES notation for methyl 2-[3-(2-methylpentanoylamino)phenoxy]acetate?
The canonical SMILES for methyl 2-[3-(2-methylpentanoylamino)phenoxy]acetate is CCCC(C)C(=O)Nc1cccc(OCC(=O)OC)c1.
What is the InChIKey of methyl 2-[3-(2-methylpentanoylamino)phenoxy]acetate?
The InChIKey is GLPJFWHXLJMMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-4-6-11(2)15(18)16-12-7-5-8-13(9-12)20-10-14(17)19-3/h5,7-9,11H,4,6,10H2,1-3H3,(H,16,18).
What are the key properties of methyl 2-[3-(2-methylpentanoylamino)phenoxy]acetate?
methyl 2-[3-(2-methylpentanoylamino)phenoxy]acetate has a molecular weight of 279.34 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(2-methylpentanoylamino)phenoxy]acetate is sourced from PubChem (CID 60750976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).