ethyl 3-(3,5-dimethoxyphenyl)-3-(ethylamino)propanoate

C15H23NO4 — CID 65233825

IUPACethyl 3-(3,5-dimethoxyphenyl)-3-(ethylamino)propanoate
SMILESCCNC(CC(=O)OCC)c1cc(OC)cc(OC)c1
InChIInChI=1S/C15H23NO4/c1-5-16-14(10-15(17)20-6-2)11-7-12(18-3)9-13(8-11)19-4/h7-9,14,16H,5-6,10H2,1-4H3
InChIKeyAVNWTVXMBOKQIP-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.31
Rot. Bonds8

About ethyl 3-(3,5-dimethoxyphenyl)-3-(ethylamino)propanoate

ethyl 3-(3,5-dimethoxyphenyl)-3-(ethylamino)propanoate (PubChem CID 65233825) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is ethyl 3-(3,5-dimethoxyphenyl)-3-(ethylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(3,5-dimethoxyphenyl)-3-(ethylamino)propanoate
PubChem CID65233825
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Nameethyl 3-(3,5-dimethoxyphenyl)-3-(ethylamino)propanoate
SMILESCCNC(CC(=O)OCC)c1cc(OC)cc(OC)c1
InChIInChI=1S/C15H23NO4/c1-5-16-14(10-15(17)20-6-2)11-7-12(18-3)9-13(8-11)19-4/h7-9,14,16H,5-6,10H2,1-4H3
InChIKeyAVNWTVXMBOKQIP-UHFFFAOYSA-N
XLogP2.31
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-(ethylamino)-3-(3-methoxyphenyl)propanoate
CID 65233774
ethyl 3-(ethylamino)-3-(4-methoxyphenyl)propanoate
CID 65233826
methyl 3-(ethylamino)-3-(4-methoxyphenyl)propanoate
CID 65235012
1-(3,5-dimethoxyphenyl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine
CID 102928516
1-(3,5-dimethoxyphenyl)-N-ethyl-4-methoxy-3-methylbutan-1-amine
CID 105168340
ethyl 3-(2,5-dimethylphenyl)-3-(ethylamino)propanoate
CID 65233713
methyl 3-(ethylamino)-3-(3-propoxyphenyl)propanoate
CID 65234778
diethyl 2-methylpropanedioate;1,3,5-trimethoxybenzene
CID 174557224
(3R)-3-acetamido-3-(3,5-dimethoxyphenyl)propanoic acid
CID 63650220
methyl 3-(4-amino-2-methylphenyl)-3-(ethylamino)propanoate
CID 118284140
1-(3,5-dimethoxyphenyl)-N-ethylhex-5-en-1-amine
CID 104986857
ethyl 2-[1-(4-methoxyphenyl)propylamino]acetate
CID 60680894

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3,5-dimethoxyphenyl)-3-(ethylamino)propanoate?
The IUPAC name of ethyl 3-(3,5-dimethoxyphenyl)-3-(ethylamino)propanoate (CID 65233825) is ethyl 3-(3,5-dimethoxyphenyl)-3-(ethylamino)propanoate.
What is the SMILES notation for ethyl 3-(3,5-dimethoxyphenyl)-3-(ethylamino)propanoate?
The canonical SMILES for ethyl 3-(3,5-dimethoxyphenyl)-3-(ethylamino)propanoate is CCNC(CC(=O)OCC)c1cc(OC)cc(OC)c1.
What is the InChIKey of ethyl 3-(3,5-dimethoxyphenyl)-3-(ethylamino)propanoate?
The InChIKey is AVNWTVXMBOKQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-5-16-14(10-15(17)20-6-2)11-7-12(18-3)9-13(8-11)19-4/h7-9,14,16H,5-6,10H2,1-4H3.
What are the key properties of ethyl 3-(3,5-dimethoxyphenyl)-3-(ethylamino)propanoate?
ethyl 3-(3,5-dimethoxyphenyl)-3-(ethylamino)propanoate has a molecular weight of 281.35 g/mol, XLogP of 2.31, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3,5-dimethoxyphenyl)-3-(ethylamino)propanoate is sourced from PubChem (CID 65233825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).