ethyl 2-[(2,4,6-trimethoxyphenyl)methylamino]propanoate

C15H23NO5 — CID 61498510

IUPACethyl 2-[(2,4,6-trimethoxyphenyl)methylamino]propanoate
SMILESCCOC(=O)C(C)NCc1c(OC)cc(OC)cc1OC
InChIInChI=1S/C15H23NO5/c1-6-21-15(17)10(2)16-9-12-13(19-4)7-11(18-3)8-14(12)20-5/h7-8,10,16H,6,9H2,1-5H3
InChIKeyIBJNAOLLZVMGON-UHFFFAOYSA-N
MW297.35 g/mol
LogP1.75
Rot. Bonds8

About ethyl 2-[(2,4,6-trimethoxyphenyl)methylamino]propanoate

ethyl 2-[(2,4,6-trimethoxyphenyl)methylamino]propanoate (PubChem CID 61498510) has the molecular formula C15H23NO5 and a molecular weight of 297.35 g/mol. Its IUPAC name is ethyl 2-[(2,4,6-trimethoxyphenyl)methylamino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(2,4,6-trimethoxyphenyl)methylamino]propanoate
PubChem CID61498510
Molecular FormulaC15H23NO5
Molecular Weight297.35 g/mol
Exact Mass297.16
IUPAC Nameethyl 2-[(2,4,6-trimethoxyphenyl)methylamino]propanoate
SMILESCCOC(=O)C(C)NCc1c(OC)cc(OC)cc1OC
InChIInChI=1S/C15H23NO5/c1-6-21-15(17)10(2)16-9-12-13(19-4)7-11(18-3)8-14(12)20-5/h7-8,10,16H,6,9H2,1-5H3
InChIKeyIBJNAOLLZVMGON-UHFFFAOYSA-N
XLogP1.75
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-2-[(2,4,6-trimethoxyphenyl)methylamino]propanamide
CID 43399013
3-methyl-N-[(2,4,6-trimethoxyphenyl)methyl]pentan-2-amine
CID 61463232
ethyl 2-[2-(2,4-dimethoxyanilino)ethylamino]propanoate
CID 42847243
3-sulfanyl-2-[(2,4,6-trimethoxyphenyl)methylamino]propanoic acid
CID 174778343
diethyl 2-methylpropanedioate;1,3,5-trimethoxybenzene
CID 174557224
1-propyl-3-[(2,4,6-trimethoxyphenyl)methyl]urea
CID 47330110
ethyl 2-(methylamino)-2-(2,4,6-trimethoxyphenyl)acetate
CID 60787918
methyl 3-phenyl-2-[(2,4,6-trimethoxyphenyl)methylamino]propanoate
CID 141372630
ethyl 2-[(3,4-dimethoxy-2-pyridinyl)methylamino]propanoate
CID 103172348
N-[(2-bromo-4,6-dimethoxyphenyl)methyl]propan-2-amine
CID 115735467
N-[(2,4,6-trimethoxyphenyl)methyl]pent-4-en-2-amine
CID 115633047
ethyl 2-[(2,4-dimethoxyphenyl)methylamino]butanoate
CID 64669981

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2,4,6-trimethoxyphenyl)methylamino]propanoate?
The IUPAC name of ethyl 2-[(2,4,6-trimethoxyphenyl)methylamino]propanoate (CID 61498510) is ethyl 2-[(2,4,6-trimethoxyphenyl)methylamino]propanoate.
What is the SMILES notation for ethyl 2-[(2,4,6-trimethoxyphenyl)methylamino]propanoate?
The canonical SMILES for ethyl 2-[(2,4,6-trimethoxyphenyl)methylamino]propanoate is CCOC(=O)C(C)NCc1c(OC)cc(OC)cc1OC.
What is the InChIKey of ethyl 2-[(2,4,6-trimethoxyphenyl)methylamino]propanoate?
The InChIKey is IBJNAOLLZVMGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO5/c1-6-21-15(17)10(2)16-9-12-13(19-4)7-11(18-3)8-14(12)20-5/h7-8,10,16H,6,9H2,1-5H3.
What are the key properties of ethyl 2-[(2,4,6-trimethoxyphenyl)methylamino]propanoate?
ethyl 2-[(2,4,6-trimethoxyphenyl)methylamino]propanoate has a molecular weight of 297.35 g/mol, XLogP of 1.75, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2,4,6-trimethoxyphenyl)methylamino]propanoate is sourced from PubChem (CID 61498510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).