ethyl 2-[4-[2-amino-2-[3-(methoxymethoxy)phenyl]ethyl]phenyl]acetate

C20H25NO4 — CID 139758116

IUPACethyl 2-[4-[2-amino-2-[3-(methoxymethoxy)phenyl]ethyl]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(CC(N)c2cccc(OCOC)c2)cc1
InChIInChI=1S/C20H25NO4/c1-3-24-20(22)12-16-9-7-15(8-10-16)11-19(21)17-5-4-6-18(13-17)25-14-23-2/h4-10,13,19H,3,11-12,14,21H2,1-2H3
InChIKeyHWEYENZTIBJMHI-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.02
Rot. Bonds9

About ethyl 2-[4-[2-amino-2-[3-(methoxymethoxy)phenyl]ethyl]phenyl]acetate

ethyl 2-[4-[2-amino-2-[3-(methoxymethoxy)phenyl]ethyl]phenyl]acetate (PubChem CID 139758116) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is ethyl 2-[4-[2-amino-2-[3-(methoxymethoxy)phenyl]ethyl]phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[2-amino-2-[3-(methoxymethoxy)phenyl]ethyl]phenyl]acetate
PubChem CID139758116
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Nameethyl 2-[4-[2-amino-2-[3-(methoxymethoxy)phenyl]ethyl]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(CC(N)c2cccc(OCOC)c2)cc1
InChIInChI=1S/C20H25NO4/c1-3-24-20(22)12-16-9-7-15(8-10-16)11-19(21)17-5-4-6-18(13-17)25-14-23-2/h4-10,13,19H,3,11-12,14,21H2,1-2H3
InChIKeyHWEYENZTIBJMHI-UHFFFAOYSA-N
XLogP3.02
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-amino-3-[3-(methoxymethoxy)phenyl]propanoic acid
CID 53417363
ethyl 4-[3-(methoxymethoxy)phenyl]butanoate
CID 23074340
methyl (3R)-3-amino-3-(3-ethoxyphenyl)propanoate;hydrochloride
CID 171248203
ethyl 2-amino-3-[4-(2-ethoxy-2-oxoethyl)phenyl]propanoate
CID 10446326
ethyl 4-[3-(methoxymethoxy)phenyl]-4-oxobutanoate
CID 175964150
ethyl (3R)-3-amino-3-[3-(difluoromethoxy)phenyl]propanoate
CID 171206155
ethyl 2-[4-(2-methylpropyl)phenyl]acetate;methane
CID 23349504
ethyl 3-[4-(methoxymethoxy)phenyl]-2-methylsulfanylpropanoate
CID 18692617
ethyl 2-[3-[1-(4-chlorophenyl)-3-oxobutan-2-yl]phenoxy]acetate
CID 59846848
2-amino-3-[3-(methoxymethoxy)phenyl]propan-1-ol;hydrochloride
CID 170893627
1-[3-(methoxymethoxy)phenyl]propan-2-amine
CID 55253645
(1S)-1,2-bis(3-methoxyphenyl)ethanamine
CID 40618709

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[2-amino-2-[3-(methoxymethoxy)phenyl]ethyl]phenyl]acetate?
The IUPAC name of ethyl 2-[4-[2-amino-2-[3-(methoxymethoxy)phenyl]ethyl]phenyl]acetate (CID 139758116) is ethyl 2-[4-[2-amino-2-[3-(methoxymethoxy)phenyl]ethyl]phenyl]acetate.
What is the SMILES notation for ethyl 2-[4-[2-amino-2-[3-(methoxymethoxy)phenyl]ethyl]phenyl]acetate?
The canonical SMILES for ethyl 2-[4-[2-amino-2-[3-(methoxymethoxy)phenyl]ethyl]phenyl]acetate is CCOC(=O)Cc1ccc(CC(N)c2cccc(OCOC)c2)cc1.
What is the InChIKey of ethyl 2-[4-[2-amino-2-[3-(methoxymethoxy)phenyl]ethyl]phenyl]acetate?
The InChIKey is HWEYENZTIBJMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-3-24-20(22)12-16-9-7-15(8-10-16)11-19(21)17-5-4-6-18(13-17)25-14-23-2/h4-10,13,19H,3,11-12,14,21H2,1-2H3.
What are the key properties of ethyl 2-[4-[2-amino-2-[3-(methoxymethoxy)phenyl]ethyl]phenyl]acetate?
ethyl 2-[4-[2-amino-2-[3-(methoxymethoxy)phenyl]ethyl]phenyl]acetate has a molecular weight of 343.42 g/mol, XLogP of 3.02, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[2-amino-2-[3-(methoxymethoxy)phenyl]ethyl]phenyl]acetate is sourced from PubChem (CID 139758116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).