4-[2-(4-ethylphenyl)-2-methylpropanoyl]morpholine-2-carboxylic acid

C17H23NO4 — CID 119358140

IUPAC4-[2-(4-ethylphenyl)-2-methylpropanoyl]morpholine-2-carboxylic acid
SMILESCCc1ccc(C(C)(C)C(=O)N2CCOC(C(=O)O)C2)cc1
InChIInChI=1S/C17H23NO4/c1-4-12-5-7-13(8-6-12)17(2,3)16(21)18-9-10-22-14(11-18)15(19)20/h5-8,14H,4,9-11H2,1-3H3,(H,19,20)
InChIKeySZQDTJJWSQEGNO-UHFFFAOYSA-N
MW305.37 g/mol
LogP1.84
Rot. Bonds4

About 4-[2-(4-ethylphenyl)-2-methylpropanoyl]morpholine-2-carboxylic acid

4-[2-(4-ethylphenyl)-2-methylpropanoyl]morpholine-2-carboxylic acid (PubChem CID 119358140) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 4-[2-(4-ethylphenyl)-2-methylpropanoyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-(4-ethylphenyl)-2-methylpropanoyl]morpholine-2-carboxylic acid
PubChem CID119358140
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name4-[2-(4-ethylphenyl)-2-methylpropanoyl]morpholine-2-carboxylic acid
SMILESCCc1ccc(C(C)(C)C(=O)N2CCOC(C(=O)O)C2)cc1
InChIInChI=1S/C17H23NO4/c1-4-12-5-7-13(8-6-12)17(2,3)16(21)18-9-10-22-14(11-18)15(19)20/h5-8,14H,4,9-11H2,1-3H3,(H,19,20)
InChIKeySZQDTJJWSQEGNO-UHFFFAOYSA-N
XLogP1.84
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-[2-(4-ethylphenyl)-2-methylpropanoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 120606955
4-(2-methyl-2-thiophen-2-ylpropanoyl)morpholine-2-carboxylic acid
CID 119239024
4-(2,2-dimethylpropanoyl)morpholine-2-carboxylic acid
CID 54595495
2-(4-ethylphenyl)-1-(3-hydroxypiperidin-1-yl)-2-methylpropan-1-one
CID 111824454
2-(4-ethylphenyl)-2-methyl-1-(3-methylpiperazin-1-yl)propan-1-one
CID 119578542
2-(4-aminophenyl)-1-(2-ethylmorpholin-4-yl)-2-methylpropan-1-one
CID 80556940
(2R)-4-[3-[4-(trifluoromethyl)phenyl]propanoyl]morpholine-2-carboxylic acid
CID 124700706
1-(4-aminopiperidin-1-yl)-2-(4-ethylphenyl)-2-methylpropan-1-one
CID 119374869
2-[1-[2-(4-ethylphenyl)-2-methylpropanoyl]piperidin-4-yl]acetic acid
CID 120684662
4-[2-methyl-2-(methylamino)propanoyl]morpholine-2-carboxylic acid
CID 62846931
1-[(3aS,6aR)-2,2-dioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrol-5-yl]-2-(4-ethylphenyl)-2-methylpropan-1-one
CID 136587230
2-(4-chlorophenyl)-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-methylpropan-1-one
CID 55982913

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-ethylphenyl)-2-methylpropanoyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[2-(4-ethylphenyl)-2-methylpropanoyl]morpholine-2-carboxylic acid (CID 119358140) is 4-[2-(4-ethylphenyl)-2-methylpropanoyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[2-(4-ethylphenyl)-2-methylpropanoyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[2-(4-ethylphenyl)-2-methylpropanoyl]morpholine-2-carboxylic acid is CCc1ccc(C(C)(C)C(=O)N2CCOC(C(=O)O)C2)cc1.
What is the InChIKey of 4-[2-(4-ethylphenyl)-2-methylpropanoyl]morpholine-2-carboxylic acid?
The InChIKey is SZQDTJJWSQEGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-4-12-5-7-13(8-6-12)17(2,3)16(21)18-9-10-22-14(11-18)15(19)20/h5-8,14H,4,9-11H2,1-3H3,(H,19,20).
What are the key properties of 4-[2-(4-ethylphenyl)-2-methylpropanoyl]morpholine-2-carboxylic acid?
4-[2-(4-ethylphenyl)-2-methylpropanoyl]morpholine-2-carboxylic acid has a molecular weight of 305.37 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-ethylphenyl)-2-methylpropanoyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 119358140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).