ethyl 2-[(3,4,5-trimethoxyphenyl)methylamino]acetate

C14H21NO5 — CID 23052527

IUPACethyl 2-[(3,4,5-trimethoxyphenyl)methylamino]acetate
SMILESCCOC(=O)CNCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C14H21NO5/c1-5-20-13(16)9-15-8-10-6-11(17-2)14(19-4)12(7-10)18-3/h6-7,15H,5,8-9H2,1-4H3
InChIKeyUFMMAZFZOUWIFQ-UHFFFAOYSA-N
MW283.32 g/mol
LogP1.37
Rot. Bonds8

About ethyl 2-[(3,4,5-trimethoxyphenyl)methylamino]acetate

ethyl 2-[(3,4,5-trimethoxyphenyl)methylamino]acetate (PubChem CID 23052527) has the molecular formula C14H21NO5 and a molecular weight of 283.32 g/mol. Its IUPAC name is ethyl 2-[(3,4,5-trimethoxyphenyl)methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3,4,5-trimethoxyphenyl)methylamino]acetate
PubChem CID23052527
Molecular FormulaC14H21NO5
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Nameethyl 2-[(3,4,5-trimethoxyphenyl)methylamino]acetate
SMILESCCOC(=O)CNCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C14H21NO5/c1-5-20-13(16)9-15-8-10-6-11(17-2)14(19-4)12(7-10)18-3/h6-7,15H,5,8-9H2,1-4H3
InChIKeyUFMMAZFZOUWIFQ-UHFFFAOYSA-N
XLogP1.37
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-oxo-4-[(3,4,5-trimethoxyphenyl)methylamino]butanoate
CID 8529703
ethyl 2-[(3-chloro-4-methoxyphenyl)methylamino]acetate
CID 65021849
ethyl 2-[2-chloro-4-(ethylaminomethyl)-6-methoxyphenoxy]acetate
CID 60879110
ethyl 2-[(3,5-dichlorophenyl)methylamino]acetate
CID 60811234
ethyl 2-[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl]sulfanylacetate
CID 9286947
ethyl 4-[(3-chloro-4,5-dimethoxyphenyl)methylamino]butanoate
CID 64579502
ethyl 2-[(3,4,5-trifluorophenyl)methylamino]acetate
CID 63050540
2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl acetate
CID 11099240
ethyl 2-[(5-fluoro-2-methoxyphenyl)methylamino]acetate
CID 115257355
ethyl 2-[(3,5-dibromo-2-methoxyphenyl)methylamino]acetate
CID 60811348
diethyl (2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]butanedioate
CID 177384775
N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine;hydrochloride
CID 17293493

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3,4,5-trimethoxyphenyl)methylamino]acetate?
The IUPAC name of ethyl 2-[(3,4,5-trimethoxyphenyl)methylamino]acetate (CID 23052527) is ethyl 2-[(3,4,5-trimethoxyphenyl)methylamino]acetate.
What is the SMILES notation for ethyl 2-[(3,4,5-trimethoxyphenyl)methylamino]acetate?
The canonical SMILES for ethyl 2-[(3,4,5-trimethoxyphenyl)methylamino]acetate is CCOC(=O)CNCc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of ethyl 2-[(3,4,5-trimethoxyphenyl)methylamino]acetate?
The InChIKey is UFMMAZFZOUWIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5/c1-5-20-13(16)9-15-8-10-6-11(17-2)14(19-4)12(7-10)18-3/h6-7,15H,5,8-9H2,1-4H3.
What are the key properties of ethyl 2-[(3,4,5-trimethoxyphenyl)methylamino]acetate?
ethyl 2-[(3,4,5-trimethoxyphenyl)methylamino]acetate has a molecular weight of 283.32 g/mol, XLogP of 1.37, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3,4,5-trimethoxyphenyl)methylamino]acetate is sourced from PubChem (CID 23052527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).