propan-2-yl 2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]acetate

C16H25NO4 — CID 63324667

IUPACpropan-2-yl 2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]acetate
SMILESCOCCNCc1cc(C)ccc1OCC(=O)OC(C)C
InChIInChI=1S/C16H25NO4/c1-12(2)21-16(18)11-20-15-6-5-13(3)9-14(15)10-17-7-8-19-4/h5-6,9,12,17H,7-8,10-11H2,1-4H3
InChIKeyPGMALOCSCOQUQX-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.06
Rot. Bonds9

About propan-2-yl 2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]acetate

propan-2-yl 2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]acetate (PubChem CID 63324667) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is propan-2-yl 2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]acetate
PubChem CID63324667
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Namepropan-2-yl 2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]acetate
SMILESCOCCNCc1cc(C)ccc1OCC(=O)OC(C)C
InChIInChI=1S/C16H25NO4/c1-12(2)21-16(18)11-20-15-6-5-13(3)9-14(15)10-17-7-8-19-4/h5-6,9,12,17H,7-8,10-11H2,1-4H3
InChIKeyPGMALOCSCOQUQX-UHFFFAOYSA-N
XLogP2.06
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl 2-[4-methyl-2-[(2-methylpropylamino)methyl]phenoxy]acetate
CID 63326690
propan-2-yl 2-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]acetate
CID 63323185
N-carbamoyl-2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]acetamide
CID 63324892
methyl 4-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]butanoate
CID 63324887
2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]-N-prop-2-enylacetamide
CID 63324753
methyl 2-[4-chloro-2-[(2-methoxyethylamino)methyl]phenoxy]acetate
CID 63058240
N-[(2-butan-2-yloxy-5-methylphenyl)methyl]-2-methoxyethanamine
CID 63325059
propan-2-yl 2-(2-acetyl-4-methylphenoxy)acetate
CID 54942552
2-[4-bromo-2-[(2-methoxyethylamino)methyl]phenoxy]-N-propan-2-ylacetamide
CID 63056502
2-methoxy-N-[(5-methyl-2-pentan-2-yloxyphenyl)methyl]ethanamine
CID 107891033
N-[(2-methoxy-5-methylphenyl)methyl]-2-propan-2-yloxyethanamine
CID 104588261
2-[2-[(2-methoxyethylamino)methyl]-4-methylphenyl]sulfanylacetamide
CID 114231448

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]acetate?
The IUPAC name of propan-2-yl 2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]acetate (CID 63324667) is propan-2-yl 2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]acetate.
What is the SMILES notation for propan-2-yl 2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]acetate?
The canonical SMILES for propan-2-yl 2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]acetate is COCCNCc1cc(C)ccc1OCC(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]acetate?
The InChIKey is PGMALOCSCOQUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-12(2)21-16(18)11-20-15-6-5-13(3)9-14(15)10-17-7-8-19-4/h5-6,9,12,17H,7-8,10-11H2,1-4H3.
What are the key properties of propan-2-yl 2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]acetate?
propan-2-yl 2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]acetate has a molecular weight of 295.38 g/mol, XLogP of 2.06, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[2-[(2-methoxyethylamino)methyl]-4-methylphenoxy]acetate is sourced from PubChem (CID 63324667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).