ethyl 3-(3-amino-4-ethoxy-5-methoxyphenyl)propanoate

C14H21NO4 — CID 143526710

IUPACethyl 3-(3-amino-4-ethoxy-5-methoxyphenyl)propanoate
SMILESCCOC(=O)CCc1cc(N)c(OCC)c(OC)c1
InChIInChI=1S/C14H21NO4/c1-4-18-13(16)7-6-10-8-11(15)14(19-5-2)12(9-10)17-3/h8-9H,4-7,15H2,1-3H3
InChIKeyRKIQDYNDJNPFHC-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.17
Rot. Bonds7

About ethyl 3-(3-amino-4-ethoxy-5-methoxyphenyl)propanoate

ethyl 3-(3-amino-4-ethoxy-5-methoxyphenyl)propanoate (PubChem CID 143526710) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is ethyl 3-(3-amino-4-ethoxy-5-methoxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl 3-(3-amino-4-ethoxy-5-methoxyphenyl)propanoate
PubChem CID143526710
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Nameethyl 3-(3-amino-4-ethoxy-5-methoxyphenyl)propanoate
SMILESCCOC(=O)CCc1cc(N)c(OCC)c(OC)c1
InChIInChI=1S/C14H21NO4/c1-4-18-13(16)7-6-10-8-11(15)14(19-5-2)12(9-10)17-3/h8-9H,4-7,15H2,1-3H3
InChIKeyRKIQDYNDJNPFHC-UHFFFAOYSA-N
XLogP2.17
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-(3-amino-4,5-dimethoxyphenyl)propanoate
CID 59324566
3-(3-amino-4,5-dimethoxyphenyl)-N,N-dimethylpropanamide
CID 82070872
3-(3-amino-4,5-diethoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 82070956
propyl 3-(3,4,5-trimethoxyphenyl)propanoate
CID 56929908
ethyl 3-(3-ethyl-4-methoxyphenyl)propanoate
CID 58566699
ethyl 3-(3-hydroxy-4-methoxyphenyl)propanoate
CID 10867928
ethyl 3-(2,6-dimethoxy-4-methylphenoxy)propanoate
CID 43174180
ethyl 1-[2-[3-(3,4,5-trimethoxyphenyl)propanoyloxy]acetyl]piperidine-4-carboxylate
CID 18272515
3-(3-amino-4,5-dimethoxyphenyl)-1-piperazin-1-ylpropan-1-one
CID 82071054
ethyl 3-(2,4,5-trimethoxyphenyl)propanoate
CID 66702332
ethyl 3-(2-methoxy-4,6-dimethylphenyl)propanoate
CID 106681194
ethyl 4-oxo-4-[(3,4,5-trimethoxyphenyl)methylamino]butanoate
CID 8529703

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-amino-4-ethoxy-5-methoxyphenyl)propanoate?
The IUPAC name of ethyl 3-(3-amino-4-ethoxy-5-methoxyphenyl)propanoate (CID 143526710) is ethyl 3-(3-amino-4-ethoxy-5-methoxyphenyl)propanoate.
What is the SMILES notation for ethyl 3-(3-amino-4-ethoxy-5-methoxyphenyl)propanoate?
The canonical SMILES for ethyl 3-(3-amino-4-ethoxy-5-methoxyphenyl)propanoate is CCOC(=O)CCc1cc(N)c(OCC)c(OC)c1.
What is the InChIKey of ethyl 3-(3-amino-4-ethoxy-5-methoxyphenyl)propanoate?
The InChIKey is RKIQDYNDJNPFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-4-18-13(16)7-6-10-8-11(15)14(19-5-2)12(9-10)17-3/h8-9H,4-7,15H2,1-3H3.
What are the key properties of ethyl 3-(3-amino-4-ethoxy-5-methoxyphenyl)propanoate?
ethyl 3-(3-amino-4-ethoxy-5-methoxyphenyl)propanoate has a molecular weight of 267.32 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-amino-4-ethoxy-5-methoxyphenyl)propanoate is sourced from PubChem (CID 143526710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).