2-(4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)anilino)acetic acid

C15H20N2O4 — CID 46299967

IUPAC2-(4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)anilino)acetic acid
SMILESCc1ccc(N(CC(=O)O)CC(=O)N2CCOCC2)cc1
InChIInChI=1S/C15H20N2O4/c1-12-2-4-13(5-3-12)17(11-15(19)20)10-14(18)16-6-8-21-9-7-16/h2-5H,6-11H2,1H3,(H,19,20)
InChIKeyWFKPMYNURNMUJG-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.74
Rot. Bonds5

About 2-(4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)anilino)acetic acid

2-(4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)anilino)acetic acid (PubChem CID 46299967) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-(4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)anilino)acetic acid.

Molecular Properties

Compound Name2-(4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)anilino)acetic acid
PubChem CID46299967
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name2-(4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)anilino)acetic acid
SMILESCc1ccc(N(CC(=O)O)CC(=O)N2CCOCC2)cc1
InChIInChI=1S/C15H20N2O4/c1-12-2-4-13(5-3-12)17(11-15(19)20)10-14(18)16-6-8-21-9-7-16/h2-5H,6-11H2,1H3,(H,19,20)
InChIKeyWFKPMYNURNMUJG-UHFFFAOYSA-N
XLogP0.74
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N,4-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 89468282
4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-N-phenylbenzenesulfonamide
CID 4525809
2-(4-methyl-N-propylanilino)-1-piperidin-1-ylethanone
CID 86906131
2-[4-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]anilino]-1-piperidin-1-ylethanone
CID 75433703
2-amino-N-methyl-2-(4-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)acetamide
CID 120667405
2-(4-methylphenoxy)-1-morpholin-4-ylethanone
CID 674914
2-(4-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)acetamide
CID 110712382
2-(N-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]anilino)acetic acid
CID 25220079
2-(N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]anilino)acetic acid
CID 51674289
2-(4-methyl-N-propylanilino)acetic acid
CID 19875097
2-(2-hydroxy-4-methylphenyl)-1-morpholin-4-ylethanone
CID 142614199
2-(4-methyl-N-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]anilino)-1-piperidin-1-ylethanone
CID 86906124

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)anilino)acetic acid?
The IUPAC name of 2-(4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)anilino)acetic acid (CID 46299967) is 2-(4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)anilino)acetic acid.
What is the SMILES notation for 2-(4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)anilino)acetic acid?
The canonical SMILES for 2-(4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)anilino)acetic acid is Cc1ccc(N(CC(=O)O)CC(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-(4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)anilino)acetic acid?
The InChIKey is WFKPMYNURNMUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-12-2-4-13(5-3-12)17(11-15(19)20)10-14(18)16-6-8-21-9-7-16/h2-5H,6-11H2,1H3,(H,19,20).
What are the key properties of 2-(4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)anilino)acetic acid?
2-(4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)anilino)acetic acid has a molecular weight of 292.34 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)anilino)acetic acid is sourced from PubChem (CID 46299967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).