ethyl 2-hydroxy-3-(3-methoxy-N-methylanilino)-3-phenylpropanoate

C19H23NO4 — CID 91311967

IUPACethyl 2-hydroxy-3-(3-methoxy-N-methylanilino)-3-phenylpropanoate
SMILESCCOC(=O)C(O)C(c1ccccc1)N(C)c1cccc(OC)c1
InChIInChI=1S/C19H23NO4/c1-4-24-19(22)18(21)17(14-9-6-5-7-10-14)20(2)15-11-8-12-16(13-15)23-3/h5-13,17-18,21H,4H2,1-3H3
InChIKeyZLEAKRBTOVVAMR-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.80
Rot. Bonds7

About ethyl 2-hydroxy-3-(3-methoxy-N-methylanilino)-3-phenylpropanoate

ethyl 2-hydroxy-3-(3-methoxy-N-methylanilino)-3-phenylpropanoate (PubChem CID 91311967) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is ethyl 2-hydroxy-3-(3-methoxy-N-methylanilino)-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl 2-hydroxy-3-(3-methoxy-N-methylanilino)-3-phenylpropanoate
PubChem CID91311967
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Nameethyl 2-hydroxy-3-(3-methoxy-N-methylanilino)-3-phenylpropanoate
SMILESCCOC(=O)C(O)C(c1ccccc1)N(C)c1cccc(OC)c1
InChIInChI=1S/C19H23NO4/c1-4-24-19(22)18(21)17(14-9-6-5-7-10-14)20(2)15-11-8-12-16(13-15)23-3/h5-13,17-18,21H,4H2,1-3H3
InChIKeyZLEAKRBTOVVAMR-UHFFFAOYSA-N
XLogP2.80
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methoxy-N-methylanilino)-3-(methylamino)-1-phenylpropan-2-ol
CID 24900270
ethyl 2-(3-methoxyphenoxy)-2-phenylacetate
CID 117065644
ethyl 2-amino-4-(3-methoxy-N-methylanilino)butanoate
CID 63055390
2-(3-methoxy-N-methylanilino)butanedioic acid
CID 115144348
ethyl (2S)-2-[(3-methoxyphenyl)methyl-methylamino]-3-phenylpropanoate
CID 99809151
ethyl 2-(N-[3-(diethylcarbamoyl)phenyl]-3-methoxyanilino)propanoate
CID 70116013
ethyl (2R,3R)-3-[bis(prop-2-enyl)amino]-2-hydroxy-3-phenylpropanoate
CID 11403533
ethyl 3-acetyloxy-3-(3-methoxyphenyl)-2-phenylpropanoate
CID 139713811
3-(3-methoxy-N-methylanilino)-3-oxopropanoic acid
CID 22132899
anisole;ethyl 2-methylpropanoate
CID 177064087
ethyl 2-(3-methoxyphenyl)-3-oxooctanoate
CID 54216163
N-(3-methoxyphenyl)-N,N'-dimethyl-1-phenylpropane-1,3-diamine
CID 70530947

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-3-(3-methoxy-N-methylanilino)-3-phenylpropanoate?
The IUPAC name of ethyl 2-hydroxy-3-(3-methoxy-N-methylanilino)-3-phenylpropanoate (CID 91311967) is ethyl 2-hydroxy-3-(3-methoxy-N-methylanilino)-3-phenylpropanoate.
What is the SMILES notation for ethyl 2-hydroxy-3-(3-methoxy-N-methylanilino)-3-phenylpropanoate?
The canonical SMILES for ethyl 2-hydroxy-3-(3-methoxy-N-methylanilino)-3-phenylpropanoate is CCOC(=O)C(O)C(c1ccccc1)N(C)c1cccc(OC)c1.
What is the InChIKey of ethyl 2-hydroxy-3-(3-methoxy-N-methylanilino)-3-phenylpropanoate?
The InChIKey is ZLEAKRBTOVVAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-4-24-19(22)18(21)17(14-9-6-5-7-10-14)20(2)15-11-8-12-16(13-15)23-3/h5-13,17-18,21H,4H2,1-3H3.
What are the key properties of ethyl 2-hydroxy-3-(3-methoxy-N-methylanilino)-3-phenylpropanoate?
ethyl 2-hydroxy-3-(3-methoxy-N-methylanilino)-3-phenylpropanoate has a molecular weight of 329.40 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-3-(3-methoxy-N-methylanilino)-3-phenylpropanoate is sourced from PubChem (CID 91311967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).