ethyl 2-amino-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]propanoate

C20H25NO4 — CID 170885406

IUPACethyl 2-amino-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]propanoate
SMILESCCOC(=O)C(N)Cc1ccc(OC)c(COc2ccc(C)cc2)c1
InChIInChI=1S/C20H25NO4/c1-4-24-20(22)18(21)12-15-7-10-19(23-3)16(11-15)13-25-17-8-5-14(2)6-9-17/h5-11,18H,4,12-13,21H2,1-3H3
InChIKeyTVMAGJFDKMEIMC-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.02
Rot. Bonds8

About ethyl 2-amino-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]propanoate

ethyl 2-amino-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]propanoate (PubChem CID 170885406) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is ethyl 2-amino-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]propanoate
PubChem CID170885406
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Nameethyl 2-amino-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]propanoate
SMILESCCOC(=O)C(N)Cc1ccc(OC)c(COc2ccc(C)cc2)c1
InChIInChI=1S/C20H25NO4/c1-4-24-20(22)18(21)12-15-7-10-19(23-3)16(11-15)13-25-17-8-5-14(2)6-9-17/h5-11,18H,4,12-13,21H2,1-3H3
InChIKeyTVMAGJFDKMEIMC-UHFFFAOYSA-N
XLogP3.02
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
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

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Related Compounds

methyl 2-amino-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]propanoate
CID 170883906
ethyl 2-amino-3-[3-[(2-chloro-4-methylphenoxy)methyl]-4-methoxyphenyl]propanoate
CID 170885623
ethyl 2-amino-3-[3-[(2,4-dichlorophenoxy)methyl]-4-methoxyphenyl]propanoate
CID 165351321
2-amino-3-[4-methoxy-3-[(4-phenylphenoxy)methyl]phenyl]propanoic acid
CID 170879962
2-amino-3-[4-methoxy-3-[(4-propan-2-ylphenoxy)methyl]phenyl]propanoic acid
CID 170879741
ethyl 2-amino-3-(2,5-dimethoxyphenyl)propanoate
CID 4284804
1-[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]propan-2-amine
CID 170864749
1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanone
CID 60661065
ethyl 2-amino-3-[4-(3,4-dimethoxyphenyl)phenyl]propanoate
CID 170884969
methyl 3-[3-(acetyloxymethyl)-4-methoxyphenyl]-2-aminopropanoate
CID 170883870
ethyl 2-amino-3-[4-[(2-fluorophenyl)methoxy]phenyl]propanoate
CID 170885350
ethyl (2S)-2-amino-3-[4-(4-hydroxy-2,6-dimethoxyphenyl)phenyl]propanoate
CID 142664722

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]propanoate?
The IUPAC name of ethyl 2-amino-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]propanoate (CID 170885406) is ethyl 2-amino-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]propanoate.
What is the SMILES notation for ethyl 2-amino-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]propanoate?
The canonical SMILES for ethyl 2-amino-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]propanoate is CCOC(=O)C(N)Cc1ccc(OC)c(COc2ccc(C)cc2)c1.
What is the InChIKey of ethyl 2-amino-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]propanoate?
The InChIKey is TVMAGJFDKMEIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-4-24-20(22)18(21)12-15-7-10-19(23-3)16(11-15)13-25-17-8-5-14(2)6-9-17/h5-11,18H,4,12-13,21H2,1-3H3.
What are the key properties of ethyl 2-amino-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]propanoate?
ethyl 2-amino-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]propanoate has a molecular weight of 343.42 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]propanoate is sourced from PubChem (CID 170885406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).