ethyl 2-amino-3-[4-(3,4,5-trimethoxyphenyl)phenyl]propanoate

C20H25NO5 — CID 170885824

IUPACethyl 2-amino-3-[4-(3,4,5-trimethoxyphenyl)phenyl]propanoate
SMILESCCOC(=O)C(N)Cc1ccc(-c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C20H25NO5/c1-5-26-20(22)16(21)10-13-6-8-14(9-7-13)15-11-17(23-2)19(25-4)18(12-15)24-3/h6-9,11-12,16H,5,10,21H2,1-4H3
InChIKeyNOIBCRGAWSCCQZ-UHFFFAOYSA-N
MW359.42 g/mol
LogP2.81
Rot. Bonds8

About ethyl 2-amino-3-[4-(3,4,5-trimethoxyphenyl)phenyl]propanoate

ethyl 2-amino-3-[4-(3,4,5-trimethoxyphenyl)phenyl]propanoate (PubChem CID 170885824) has the molecular formula C20H25NO5 and a molecular weight of 359.42 g/mol. Its IUPAC name is ethyl 2-amino-3-[4-(3,4,5-trimethoxyphenyl)phenyl]propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-[4-(3,4,5-trimethoxyphenyl)phenyl]propanoate
PubChem CID170885824
Molecular FormulaC20H25NO5
Molecular Weight359.42 g/mol
Exact Mass359.17
IUPAC Nameethyl 2-amino-3-[4-(3,4,5-trimethoxyphenyl)phenyl]propanoate
SMILESCCOC(=O)C(N)Cc1ccc(-c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C20H25NO5/c1-5-26-20(22)16(21)10-13-6-8-14(9-7-13)15-11-17(23-2)19(25-4)18(12-15)24-3/h6-9,11-12,16H,5,10,21H2,1-4H3
InChIKeyNOIBCRGAWSCCQZ-UHFFFAOYSA-N
XLogP2.81
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-amino-3-[4-(3,4-dimethoxyphenyl)phenyl]propanoate
CID 170884969
ethyl (2S)-2-amino-3-[4-(4-hydroxy-2,6-dimethoxyphenyl)phenyl]propanoate
CID 142664722
ethyl 2-amino-3-[4-(4-butylphenyl)phenyl]propanoate
CID 170885040
ethyl 2-amino-3-(3,5-difluoro-4-methoxyphenyl)propanoate
CID 170885235
ethyl 2-amino-3-[3-(4-methoxyphenyl)phenyl]propanoate
CID 170884966
methyl 2-amino-3-[4-(3,4-dimethylphenyl)phenyl]propanoate
CID 170884102
ethyl (2S)-2-amino-3-(4-fluorophenyl)propanoate
CID 7010712
methyl 2-amino-3-[4-(4-methylphenyl)phenyl]propanoate
CID 57296251
ethyl 2-amino-3-[4-[3-(methylamino)phenyl]phenyl]propanoate
CID 91249652
2-amino-3-(3,4,5-trimethoxyphenyl)propanamide
CID 116850909
ethyl 2-amino-3-(4-tert-butylphenyl)propanoate
CID 3527165
ethyl 2-amino-3-[4-(2-ethoxy-2-oxoethyl)phenyl]propanoate
CID 10446326

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-[4-(3,4,5-trimethoxyphenyl)phenyl]propanoate?
The IUPAC name of ethyl 2-amino-3-[4-(3,4,5-trimethoxyphenyl)phenyl]propanoate (CID 170885824) is ethyl 2-amino-3-[4-(3,4,5-trimethoxyphenyl)phenyl]propanoate.
What is the SMILES notation for ethyl 2-amino-3-[4-(3,4,5-trimethoxyphenyl)phenyl]propanoate?
The canonical SMILES for ethyl 2-amino-3-[4-(3,4,5-trimethoxyphenyl)phenyl]propanoate is CCOC(=O)C(N)Cc1ccc(-c2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of ethyl 2-amino-3-[4-(3,4,5-trimethoxyphenyl)phenyl]propanoate?
The InChIKey is NOIBCRGAWSCCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO5/c1-5-26-20(22)16(21)10-13-6-8-14(9-7-13)15-11-17(23-2)19(25-4)18(12-15)24-3/h6-9,11-12,16H,5,10,21H2,1-4H3.
What are the key properties of ethyl 2-amino-3-[4-(3,4,5-trimethoxyphenyl)phenyl]propanoate?
ethyl 2-amino-3-[4-(3,4,5-trimethoxyphenyl)phenyl]propanoate has a molecular weight of 359.42 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-[4-(3,4,5-trimethoxyphenyl)phenyl]propanoate is sourced from PubChem (CID 170885824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).