[2-(methylamino)acetyl] 2-phenoxy-3-phenylpropanoate;hydrochloride

C18H20ClNO4 — CID 174380284

IUPAC[2-(methylamino)acetyl] 2-phenoxy-3-phenylpropanoate;hydrochloride
SMILESCNCC(=O)OC(=O)C(Cc1ccccc1)Oc1ccccc1.Cl
InChIInChI=1S/C18H19NO4.ClH/c1-19-13-17(20)23-18(21)16(12-14-8-4-2-5-9-14)22-15-10-6-3-7-11-15;/h2-11,16,19H,12-13H2,1H3;1H
InChIKeyGVSDJUAHHOAPHH-UHFFFAOYSA-N
MW349.81 g/mol
LogP2.39
Rot. Bonds7

About [2-(methylamino)acetyl] 2-phenoxy-3-phenylpropanoate;hydrochloride

[2-(methylamino)acetyl] 2-phenoxy-3-phenylpropanoate;hydrochloride (PubChem CID 174380284) has the molecular formula C18H20ClNO4 and a molecular weight of 349.81 g/mol. Its IUPAC name is [2-(methylamino)acetyl] 2-phenoxy-3-phenylpropanoate;hydrochloride.

Molecular Properties

Compound Name[2-(methylamino)acetyl] 2-phenoxy-3-phenylpropanoate;hydrochloride
PubChem CID174380284
Molecular FormulaC18H20ClNO4
Molecular Weight349.81 g/mol
Exact Mass349.11
IUPAC Name[2-(methylamino)acetyl] 2-phenoxy-3-phenylpropanoate;hydrochloride
SMILESCNCC(=O)OC(=O)C(Cc1ccccc1)Oc1ccccc1.Cl
InChIInChI=1S/C18H19NO4.ClH/c1-19-13-17(20)23-18(21)16(12-14-8-4-2-5-9-14)22-15-10-6-3-7-11-15;/h2-11,16,19H,12-13H2,1H3;1H
InChIKeyGVSDJUAHHOAPHH-UHFFFAOYSA-N
XLogP2.39
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.81
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2R)-3-(4-methoxyphenyl)-2-phenoxypropanoic acid
CID 100542931
methyl (2S)-3-phenyl-2-(4-thiophen-2-ylphenoxy)propanoate
CID 11151915
(2R)-2-(3-methoxyphenoxy)-3-phenylpropanoic acid
CID 100524279
(2R)-2-methoxy-3-phenylpropanoic acid
CID 72942339
methyl 4-[[2-(methylamino)acetyl]amino]-5-phenylpentanoate;hydrochloride
CID 120705550
[3-oxo-2-phenoxy-3-(2-sulfinatohydrazinyl)propyl]benzene
CID 174536908
(2R)-3-(4-ethoxyphenyl)-2-phenoxypropanoic acid
CID 100544078
carbamoyl 2-carbamoyloxy-3-phenylpropanoate
CID 158081056
2-methoxy-3-phenylpropanethioic S-acid
CID 154225885
methyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 174427349
3-aminooxy-4-phenylbutan-2-one
CID 177137013
ethyl (2S)-2-(4-bromo-3-methylphenoxy)-3-phenylpropanoate
CID 71545011

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)acetyl] 2-phenoxy-3-phenylpropanoate;hydrochloride?
The IUPAC name of [2-(methylamino)acetyl] 2-phenoxy-3-phenylpropanoate;hydrochloride (CID 174380284) is [2-(methylamino)acetyl] 2-phenoxy-3-phenylpropanoate;hydrochloride.
What is the SMILES notation for [2-(methylamino)acetyl] 2-phenoxy-3-phenylpropanoate;hydrochloride?
The canonical SMILES for [2-(methylamino)acetyl] 2-phenoxy-3-phenylpropanoate;hydrochloride is CNCC(=O)OC(=O)C(Cc1ccccc1)Oc1ccccc1.Cl.
What is the InChIKey of [2-(methylamino)acetyl] 2-phenoxy-3-phenylpropanoate;hydrochloride?
The InChIKey is GVSDJUAHHOAPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4.ClH/c1-19-13-17(20)23-18(21)16(12-14-8-4-2-5-9-14)22-15-10-6-3-7-11-15;/h2-11,16,19H,12-13H2,1H3;1H.
What are the key properties of [2-(methylamino)acetyl] 2-phenoxy-3-phenylpropanoate;hydrochloride?
[2-(methylamino)acetyl] 2-phenoxy-3-phenylpropanoate;hydrochloride has a molecular weight of 349.81 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)acetyl] 2-phenoxy-3-phenylpropanoate;hydrochloride is sourced from PubChem (CID 174380284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).