2-[2-oxo-2-[2-(2-phenylethyl)morpholin-4-yl]ethyl]benzoic acid

C21H23NO4 — CID 120550218

IUPAC2-[2-oxo-2-[2-(2-phenylethyl)morpholin-4-yl]ethyl]benzoic acid
SMILESO=C(O)c1ccccc1CC(=O)N1CCOC(CCc2ccccc2)C1
InChIInChI=1S/C21H23NO4/c23-20(14-17-8-4-5-9-19(17)21(24)25)22-12-13-26-18(15-22)11-10-16-6-2-1-3-7-16/h1-9,18H,10-15H2,(H,24,25)
InChIKeyQPMYIHFJMHIZQC-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.79
Rot. Bonds6

About 2-[2-oxo-2-[2-(2-phenylethyl)morpholin-4-yl]ethyl]benzoic acid

2-[2-oxo-2-[2-(2-phenylethyl)morpholin-4-yl]ethyl]benzoic acid (PubChem CID 120550218) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-[2-oxo-2-[2-(2-phenylethyl)morpholin-4-yl]ethyl]benzoic acid.

Molecular Properties

Compound Name2-[2-oxo-2-[2-(2-phenylethyl)morpholin-4-yl]ethyl]benzoic acid
PubChem CID120550218
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name2-[2-oxo-2-[2-(2-phenylethyl)morpholin-4-yl]ethyl]benzoic acid
SMILESO=C(O)c1ccccc1CC(=O)N1CCOC(CCc2ccccc2)C1
InChIInChI=1S/C21H23NO4/c23-20(14-17-8-4-5-9-19(17)21(24)25)22-12-13-26-18(15-22)11-10-16-6-2-1-3-7-16/h1-9,18H,10-15H2,(H,24,25)
InChIKeyQPMYIHFJMHIZQC-UHFFFAOYSA-N
XLogP2.79
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-2-(2-phenylethyl)morpholin-4-yl]propan-1-one
CID 95968357
4-oxo-4-[2-(2-phenylethyl)morpholin-4-yl]butanoic acid
CID 120550207
N,N-dimethyl-2-(2-phenylethyl)morpholine-4-carboxamide
CID 75521628
1-[4-[2-(2-phenylethyl)morpholine-4-carbonyl]piperidin-1-yl]ethanone
CID 110740943
oxan-4-yl-[(2R)-2-(2-phenylethyl)morpholin-4-yl]methanone
CID 25457524
1-[2-(3-phenylpropyl)morpholin-4-yl]-2-pyridin-3-ylethanone
CID 45214839
(2-methylfuran-3-yl)-[2-(2-phenylethyl)morpholin-4-yl]methanone
CID 75504750
2-[(2S)-4-[2-(2-phenylethyl)benzoyl]morpholin-2-yl]acetic acid
CID 124702643
N-(oxan-4-yl)-2-(2-phenylethyl)morpholine-4-carboxamide
CID 126776750
3-(5-methylpyrazol-1-yl)-1-[2-(2-phenylethyl)morpholin-4-yl]propan-1-one
CID 45239749
2-[4-(3-phenylpropanoyl)morpholin-2-yl]acetic acid
CID 66422337
1-[3-oxo-3-[2-(2-phenylethyl)morpholin-4-yl]propyl]azepan-2-one
CID 45227906

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-[2-(2-phenylethyl)morpholin-4-yl]ethyl]benzoic acid?
The IUPAC name of 2-[2-oxo-2-[2-(2-phenylethyl)morpholin-4-yl]ethyl]benzoic acid (CID 120550218) is 2-[2-oxo-2-[2-(2-phenylethyl)morpholin-4-yl]ethyl]benzoic acid.
What is the SMILES notation for 2-[2-oxo-2-[2-(2-phenylethyl)morpholin-4-yl]ethyl]benzoic acid?
The canonical SMILES for 2-[2-oxo-2-[2-(2-phenylethyl)morpholin-4-yl]ethyl]benzoic acid is O=C(O)c1ccccc1CC(=O)N1CCOC(CCc2ccccc2)C1.
What is the InChIKey of 2-[2-oxo-2-[2-(2-phenylethyl)morpholin-4-yl]ethyl]benzoic acid?
The InChIKey is QPMYIHFJMHIZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c23-20(14-17-8-4-5-9-19(17)21(24)25)22-12-13-26-18(15-22)11-10-16-6-2-1-3-7-16/h1-9,18H,10-15H2,(H,24,25).
What are the key properties of 2-[2-oxo-2-[2-(2-phenylethyl)morpholin-4-yl]ethyl]benzoic acid?
2-[2-oxo-2-[2-(2-phenylethyl)morpholin-4-yl]ethyl]benzoic acid has a molecular weight of 353.42 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-[2-(2-phenylethyl)morpholin-4-yl]ethyl]benzoic acid is sourced from PubChem (CID 120550218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).