2-methyl-4-(3-morpholin-4-ylanilino)-4-oxo-2-phenylbutanoic acid

C21H24N2O4 — CID 56797524

IUPAC2-methyl-4-(3-morpholin-4-ylanilino)-4-oxo-2-phenylbutanoic acid
SMILESCC(CC(=O)Nc1cccc(N2CCOCC2)c1)(C(=O)O)c1ccccc1
InChIInChI=1S/C21H24N2O4/c1-21(20(25)26,16-6-3-2-4-7-16)15-19(24)22-17-8-5-9-18(14-17)23-10-12-27-13-11-23/h2-9,14H,10-13,15H2,1H3,(H,22,24)(H,25,26)
InChIKeyQXLVUPKPLFEPPY-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.89
Rot. Bonds6

About 2-methyl-4-(3-morpholin-4-ylanilino)-4-oxo-2-phenylbutanoic acid

2-methyl-4-(3-morpholin-4-ylanilino)-4-oxo-2-phenylbutanoic acid (PubChem CID 56797524) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 2-methyl-4-(3-morpholin-4-ylanilino)-4-oxo-2-phenylbutanoic acid.

Molecular Properties

Compound Name2-methyl-4-(3-morpholin-4-ylanilino)-4-oxo-2-phenylbutanoic acid
PubChem CID56797524
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name2-methyl-4-(3-morpholin-4-ylanilino)-4-oxo-2-phenylbutanoic acid
SMILESCC(CC(=O)Nc1cccc(N2CCOCC2)c1)(C(=O)O)c1ccccc1
InChIInChI=1S/C21H24N2O4/c1-21(20(25)26,16-6-3-2-4-7-16)15-19(24)22-17-8-5-9-18(14-17)23-10-12-27-13-11-23/h2-9,14H,10-13,15H2,1H3,(H,22,24)(H,25,26)
InChIKeyQXLVUPKPLFEPPY-UHFFFAOYSA-N
XLogP2.89
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-(3-morpholin-4-ylphenyl)propanamide
CID 47342308
N-[2-(3-morpholin-4-ylanilino)-2-oxoethyl]-2-phenylacetamide
CID 87042458
3-(2-hydroxyphenyl)-N-(3-morpholin-4-ylphenyl)propanamide
CID 71938578
N-ethyl-3-morpholin-4-ylaniline
CID 22605665
2-(2,2-dimethyl-3-phenylcyclopropyl)-N-(3-morpholin-4-ylphenyl)acetamide
CID 123186065
2-(5-methyl-1,2-oxazol-3-yl)-N-(3-morpholin-4-ylphenyl)acetamide
CID 110612975
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(3-morpholin-4-ylphenyl)acetamide
CID 110612977
4-(2,6-diethylanilino)-2-methyl-4-oxo-2-phenylbutanoic acid
CID 17424962
2-cyclohexyloxy-N-(3-morpholin-4-ylphenyl)acetamide
CID 87042506
N-(3-morpholin-4-ylphenyl)-2-(oxan-2-yl)acetamide
CID 110613011
2-fluoro-N-(3-morpholin-4-ylphenyl)benzamide
CID 110362329
N-(3-morpholin-4-ylphenyl)-3-(2-phenyl-1,3-thiazol-4-yl)propanamide
CID 110426324

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-morpholin-4-ylanilino)-4-oxo-2-phenylbutanoic acid?
The IUPAC name of 2-methyl-4-(3-morpholin-4-ylanilino)-4-oxo-2-phenylbutanoic acid (CID 56797524) is 2-methyl-4-(3-morpholin-4-ylanilino)-4-oxo-2-phenylbutanoic acid.
What is the SMILES notation for 2-methyl-4-(3-morpholin-4-ylanilino)-4-oxo-2-phenylbutanoic acid?
The canonical SMILES for 2-methyl-4-(3-morpholin-4-ylanilino)-4-oxo-2-phenylbutanoic acid is CC(CC(=O)Nc1cccc(N2CCOCC2)c1)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-methyl-4-(3-morpholin-4-ylanilino)-4-oxo-2-phenylbutanoic acid?
The InChIKey is QXLVUPKPLFEPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-21(20(25)26,16-6-3-2-4-7-16)15-19(24)22-17-8-5-9-18(14-17)23-10-12-27-13-11-23/h2-9,14H,10-13,15H2,1H3,(H,22,24)(H,25,26).
What are the key properties of 2-methyl-4-(3-morpholin-4-ylanilino)-4-oxo-2-phenylbutanoic acid?
2-methyl-4-(3-morpholin-4-ylanilino)-4-oxo-2-phenylbutanoic acid has a molecular weight of 368.43 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-morpholin-4-ylanilino)-4-oxo-2-phenylbutanoic acid is sourced from PubChem (CID 56797524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).