methyl 2-[2-amino-2-(3,4-diethoxyphenyl)ethoxy]acetate

C15H23NO5 — CID 61328764

IUPACmethyl 2-[2-amino-2-(3,4-diethoxyphenyl)ethoxy]acetate
SMILESCCOc1ccc(C(N)COCC(=O)OC)cc1OCC
InChIInChI=1S/C15H23NO5/c1-4-20-13-7-6-11(8-14(13)21-5-2)12(16)9-19-10-15(17)18-3/h6-8,12H,4-5,9-10,16H2,1-3H3
InChIKeyCECGNDZHXMOYBU-UHFFFAOYSA-N
MW297.35 g/mol
LogP1.67
Rot. Bonds9

About methyl 2-[2-amino-2-(3,4-diethoxyphenyl)ethoxy]acetate

methyl 2-[2-amino-2-(3,4-diethoxyphenyl)ethoxy]acetate (PubChem CID 61328764) has the molecular formula C15H23NO5 and a molecular weight of 297.35 g/mol. Its IUPAC name is methyl 2-[2-amino-2-(3,4-diethoxyphenyl)ethoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[2-amino-2-(3,4-diethoxyphenyl)ethoxy]acetate
PubChem CID61328764
Molecular FormulaC15H23NO5
Molecular Weight297.35 g/mol
Exact Mass297.16
IUPAC Namemethyl 2-[2-amino-2-(3,4-diethoxyphenyl)ethoxy]acetate
SMILESCCOc1ccc(C(N)COCC(=O)OC)cc1OCC
InChIInChI=1S/C15H23NO5/c1-4-20-13-7-6-11(8-14(13)21-5-2)12(16)9-19-10-15(17)18-3/h6-8,12H,4-5,9-10,16H2,1-3H3
InChIKeyCECGNDZHXMOYBU-UHFFFAOYSA-N
XLogP1.67
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[2-amino-2-(2-ethoxy-5-methylphenyl)ethoxy]acetate
CID 55057129
methyl 2-(3,4-diethoxyphenyl)propanoate
CID 55071930
(1R)-1-(4-ethoxy-3-methoxyphenyl)propan-1-amine;hydrochloride
CID 171212219
3-amino-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 170875743
(5R)-5-amino-5-(3,4-diethoxyphenyl)pentanoic acid
CID 28931104
3-amino-3-(3-ethoxy-4-phenylmethoxyphenyl)propanoic acid
CID 16642004
2-amino-2-(4-ethoxy-3-methoxyphenyl)ethanol
CID 77128086
3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]butanamide
CID 119683000
2-amino-N-[1-(3,4-diethoxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120983475
2-[2-amino-2-(4-ethoxyphenyl)ethoxy]acetamide
CID 61327412
ethyl 2-[(2R)-2-amino-2-(4-bromophenyl)ethoxy]acetate
CID 153439532
(1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)propan-1-amine;hydrochloride
CID 171210406

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-amino-2-(3,4-diethoxyphenyl)ethoxy]acetate?
The IUPAC name of methyl 2-[2-amino-2-(3,4-diethoxyphenyl)ethoxy]acetate (CID 61328764) is methyl 2-[2-amino-2-(3,4-diethoxyphenyl)ethoxy]acetate.
What is the SMILES notation for methyl 2-[2-amino-2-(3,4-diethoxyphenyl)ethoxy]acetate?
The canonical SMILES for methyl 2-[2-amino-2-(3,4-diethoxyphenyl)ethoxy]acetate is CCOc1ccc(C(N)COCC(=O)OC)cc1OCC.
What is the InChIKey of methyl 2-[2-amino-2-(3,4-diethoxyphenyl)ethoxy]acetate?
The InChIKey is CECGNDZHXMOYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO5/c1-4-20-13-7-6-11(8-14(13)21-5-2)12(16)9-19-10-15(17)18-3/h6-8,12H,4-5,9-10,16H2,1-3H3.
What are the key properties of methyl 2-[2-amino-2-(3,4-diethoxyphenyl)ethoxy]acetate?
methyl 2-[2-amino-2-(3,4-diethoxyphenyl)ethoxy]acetate has a molecular weight of 297.35 g/mol, XLogP of 1.67, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-amino-2-(3,4-diethoxyphenyl)ethoxy]acetate is sourced from PubChem (CID 61328764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).