methyl 2-(2-methoxyethylamino)-2-(4-propoxyphenyl)acetate

C15H23NO4 — CID 62540489

IUPACmethyl 2-(2-methoxyethylamino)-2-(4-propoxyphenyl)acetate
SMILESCCCOc1ccc(C(NCCOC)C(=O)OC)cc1
InChIInChI=1S/C15H23NO4/c1-4-10-20-13-7-5-12(6-8-13)14(15(17)19-3)16-9-11-18-2/h5-8,14,16H,4,9-11H2,1-3H3
InChIKeyGXCUVOGNNWDRAW-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.93
Rot. Bonds9

About methyl 2-(2-methoxyethylamino)-2-(4-propoxyphenyl)acetate

methyl 2-(2-methoxyethylamino)-2-(4-propoxyphenyl)acetate (PubChem CID 62540489) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is methyl 2-(2-methoxyethylamino)-2-(4-propoxyphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-methoxyethylamino)-2-(4-propoxyphenyl)acetate
PubChem CID62540489
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Namemethyl 2-(2-methoxyethylamino)-2-(4-propoxyphenyl)acetate
SMILESCCCOc1ccc(C(NCCOC)C(=O)OC)cc1
InChIInChI=1S/C15H23NO4/c1-4-10-20-13-7-5-12(6-8-13)14(15(17)19-3)16-9-11-18-2/h5-8,14,16H,4,9-11H2,1-3H3
InChIKeyGXCUVOGNNWDRAW-UHFFFAOYSA-N
XLogP1.93
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.93
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

methyl 2-(4-ethoxyphenyl)-2-(3-methoxypropylamino)acetate
CID 82344816
methyl 2-(2-methoxyethylamino)-2-(4-methylphenyl)acetate
CID 55084780
2-(2-methoxyethylamino)-1-(4-propoxyphenyl)propan-1-one
CID 82100852
ethyl 2-(prop-2-enylamino)-2-(4-propoxyphenyl)acetate
CID 62496644
methyl 2-(4-ethylphenyl)-2-(propylamino)acetate
CID 60795755
methyl 2-hydroxy-2-[4-(2-methoxyethoxy)phenyl]acetate
CID 117353011
methyl 2-(4-chloro-3-fluorophenyl)-2-(2-methoxyethylamino)acetate
CID 62540494
ethyl 2-(4-methoxyphenyl)-2-(propylamino)acetate
CID 60795637
methyl 2-(ethylamino)-4-(4-propoxyphenoxy)butanoate
CID 63033883
methyl 2-(4-hydroxy-3,5-dimethylphenyl)-2-(2-methoxyethylamino)acetate
CID 62540496
ethyl 2-(3-fluoro-4-hydroxyphenyl)-2-(2-methoxyethylamino)acetate
CID 107690318
2-(cyclopentylamino)-2-(4-propoxyphenyl)acetamide
CID 62495956

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methoxyethylamino)-2-(4-propoxyphenyl)acetate?
The IUPAC name of methyl 2-(2-methoxyethylamino)-2-(4-propoxyphenyl)acetate (CID 62540489) is methyl 2-(2-methoxyethylamino)-2-(4-propoxyphenyl)acetate.
What is the SMILES notation for methyl 2-(2-methoxyethylamino)-2-(4-propoxyphenyl)acetate?
The canonical SMILES for methyl 2-(2-methoxyethylamino)-2-(4-propoxyphenyl)acetate is CCCOc1ccc(C(NCCOC)C(=O)OC)cc1.
What is the InChIKey of methyl 2-(2-methoxyethylamino)-2-(4-propoxyphenyl)acetate?
The InChIKey is GXCUVOGNNWDRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-4-10-20-13-7-5-12(6-8-13)14(15(17)19-3)16-9-11-18-2/h5-8,14,16H,4,9-11H2,1-3H3.
What are the key properties of methyl 2-(2-methoxyethylamino)-2-(4-propoxyphenyl)acetate?
methyl 2-(2-methoxyethylamino)-2-(4-propoxyphenyl)acetate has a molecular weight of 281.35 g/mol, XLogP of 1.93, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methoxyethylamino)-2-(4-propoxyphenyl)acetate is sourced from PubChem (CID 62540489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).