methyl 3-(ethylamino)-3-(4-methoxyphenyl)propanoate

C13H19NO3 — CID 65235012

IUPACmethyl 3-(ethylamino)-3-(4-methoxyphenyl)propanoate
SMILESCCNC(CC(=O)OC)c1ccc(OC)cc1
InChIInChI=1S/C13H19NO3/c1-4-14-12(9-13(15)17-3)10-5-7-11(16-2)8-6-10/h5-8,12,14H,4,9H2,1-3H3
InChIKeyAEWLRFNNOZYBPP-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.91
Rot. Bonds6

About methyl 3-(ethylamino)-3-(4-methoxyphenyl)propanoate

methyl 3-(ethylamino)-3-(4-methoxyphenyl)propanoate (PubChem CID 65235012) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is methyl 3-(ethylamino)-3-(4-methoxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-(ethylamino)-3-(4-methoxyphenyl)propanoate
PubChem CID65235012
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Namemethyl 3-(ethylamino)-3-(4-methoxyphenyl)propanoate
SMILESCCNC(CC(=O)OC)c1ccc(OC)cc1
InChIInChI=1S/C13H19NO3/c1-4-14-12(9-13(15)17-3)10-5-7-11(16-2)8-6-10/h5-8,12,14H,4,9H2,1-3H3
InChIKeyAEWLRFNNOZYBPP-UHFFFAOYSA-N
XLogP1.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(ethylamino)-3-(4-methoxyphenyl)propanoate
CID 65233826
methyl 3-[4-(difluoromethoxy)phenyl]-3-(ethylamino)propanoate
CID 65234653
methyl 3-(ethylamino)-3-(4-phenylphenyl)propanoate
CID 65235244
methyl (3S)-3-(4-methoxyanilino)-3-(4-methoxyphenyl)propanoate
CID 102577757
methyl 3-anilino-3-(4-methoxyphenyl)propanoate
CID 146162562
methyl 3-(ethylamino)-3-(6-methyl-3-pyridinyl)propanoate
CID 104823947
ethyl 3-(3,5-dimethoxyphenyl)-3-(ethylamino)propanoate
CID 65233825
ethyl 3-(ethylamino)-3-(3-methoxyphenyl)propanoate
CID 65233774
ethyl 2-[1-(4-methoxyphenyl)propylamino]acetate
CID 60680894
methyl 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(ethylamino)propanoate
CID 65235132
methyl (3S)-3-(4-methoxyphenyl)-3-phenylpropanoate
CID 134965407
methyl 3-(ethylamino)-3-(3-propoxyphenyl)propanoate
CID 65234778

Frequently Asked Questions

What is the IUPAC name of methyl 3-(ethylamino)-3-(4-methoxyphenyl)propanoate?
The IUPAC name of methyl 3-(ethylamino)-3-(4-methoxyphenyl)propanoate (CID 65235012) is methyl 3-(ethylamino)-3-(4-methoxyphenyl)propanoate.
What is the SMILES notation for methyl 3-(ethylamino)-3-(4-methoxyphenyl)propanoate?
The canonical SMILES for methyl 3-(ethylamino)-3-(4-methoxyphenyl)propanoate is CCNC(CC(=O)OC)c1ccc(OC)cc1.
What is the InChIKey of methyl 3-(ethylamino)-3-(4-methoxyphenyl)propanoate?
The InChIKey is AEWLRFNNOZYBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-4-14-12(9-13(15)17-3)10-5-7-11(16-2)8-6-10/h5-8,12,14H,4,9H2,1-3H3.
What are the key properties of methyl 3-(ethylamino)-3-(4-methoxyphenyl)propanoate?
methyl 3-(ethylamino)-3-(4-methoxyphenyl)propanoate has a molecular weight of 237.30 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(ethylamino)-3-(4-methoxyphenyl)propanoate is sourced from PubChem (CID 65235012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).