2-(N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-4-methoxyanilino)acetic acid

C17H24N2O5 — CID 25220062

IUPAC2-(N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-4-methoxyanilino)acetic acid
SMILESCOc1ccc(N(CC(=O)O)CC(=O)N2CC(C)OC(C)C2)cc1
InChIInChI=1S/C17H24N2O5/c1-12-8-19(9-13(2)24-12)16(20)10-18(11-17(21)22)14-4-6-15(23-3)7-5-14/h4-7,12-13H,8-11H2,1-3H3,(H,21,22)
InChIKeyVGAHTWROKUMTOU-UHFFFAOYSA-N
MW336.39 g/mol
LogP1.22
Rot. Bonds6

About 2-(N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-4-methoxyanilino)acetic acid

2-(N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-4-methoxyanilino)acetic acid (PubChem CID 25220062) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-(N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-4-methoxyanilino)acetic acid.

Molecular Properties

Compound Name2-(N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-4-methoxyanilino)acetic acid
PubChem CID25220062
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC Name2-(N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-4-methoxyanilino)acetic acid
SMILESCOc1ccc(N(CC(=O)O)CC(=O)N2CC(C)OC(C)C2)cc1
InChIInChI=1S/C17H24N2O5/c1-12-8-19(9-13(2)24-12)16(20)10-18(11-17(21)22)14-4-6-15(23-3)7-5-14/h4-7,12-13H,8-11H2,1-3H3,(H,21,22)
InChIKeyVGAHTWROKUMTOU-UHFFFAOYSA-N
XLogP1.22
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[N-(carboxymethyl)-4-methoxyanilino]acetic acid
CID 4712243
1-(2,6-dimethylmorpholin-4-yl)-2-[(4-methoxyphenyl)methyl-methylamino]ethanone
CID 86911554
2-(4-methoxy-N-[2-[4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]anilino)acetic acid
CID 25220045
N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-N-(4-methoxyphenyl)-3-methylbenzenesulfonamide
CID 42971246
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-methoxyphenyl)sulfonylethanone
CID 7082114
2-[N-(carboxymethyl)-3-methoxyanilino]acetic acid;2-[N-(carboxymethyl)-4-methoxyanilino]acetic acid
CID 122452807
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(4-methoxyphenoxy)ethanone
CID 102934536
N-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-4-methoxybenzenesulfonamide
CID 31466785
N-[(1S)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide
CID 32684724
N-[(1R)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide
CID 32684720
(6R)-4-[4-(4-methoxyphenyl)-4-oxobutanoyl]-6-methylmorpholine-2-carboxylic acid
CID 120689588
2-(N-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]anilino)acetic acid
CID 51674289

Frequently Asked Questions

What is the IUPAC name of 2-(N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-4-methoxyanilino)acetic acid?
The IUPAC name of 2-(N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-4-methoxyanilino)acetic acid (CID 25220062) is 2-(N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-4-methoxyanilino)acetic acid.
What is the SMILES notation for 2-(N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-4-methoxyanilino)acetic acid?
The canonical SMILES for 2-(N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-4-methoxyanilino)acetic acid is COc1ccc(N(CC(=O)O)CC(=O)N2CC(C)OC(C)C2)cc1.
What is the InChIKey of 2-(N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-4-methoxyanilino)acetic acid?
The InChIKey is VGAHTWROKUMTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5/c1-12-8-19(9-13(2)24-12)16(20)10-18(11-17(21)22)14-4-6-15(23-3)7-5-14/h4-7,12-13H,8-11H2,1-3H3,(H,21,22).
What are the key properties of 2-(N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-4-methoxyanilino)acetic acid?
2-(N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-4-methoxyanilino)acetic acid has a molecular weight of 336.39 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-4-methoxyanilino)acetic acid is sourced from PubChem (CID 25220062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).