5-[[2-(2,6-dimethylmorpholin-4-yl)-2-phenylacetyl]amino]-2-hydroxybenzoic acid

C21H24N2O5 — CID 4974400

IUPAC5-[[2-(2,6-dimethylmorpholin-4-yl)-2-phenylacetyl]amino]-2-hydroxybenzoic acid
SMILESCC1CN(C(C(=O)Nc2ccc(O)c(C(=O)O)c2)c2ccccc2)CC(C)O1
InChIInChI=1S/C21H24N2O5/c1-13-11-23(12-14(2)28-13)19(15-6-4-3-5-7-15)20(25)22-16-8-9-18(24)17(10-16)21(26)27/h3-10,13-14,19,24H,11-12H2,1-2H3,(H,22,25)(H,26,27)
InChIKeyZSGPGLOJJRSFQZ-UHFFFAOYSA-N
MW384.43 g/mol
LogP2.88
Rot. Bonds5

About 5-[[2-(2,6-dimethylmorpholin-4-yl)-2-phenylacetyl]amino]-2-hydroxybenzoic acid

5-[[2-(2,6-dimethylmorpholin-4-yl)-2-phenylacetyl]amino]-2-hydroxybenzoic acid (PubChem CID 4974400) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is 5-[[2-(2,6-dimethylmorpholin-4-yl)-2-phenylacetyl]amino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[[2-(2,6-dimethylmorpholin-4-yl)-2-phenylacetyl]amino]-2-hydroxybenzoic acid
PubChem CID4974400
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name5-[[2-(2,6-dimethylmorpholin-4-yl)-2-phenylacetyl]amino]-2-hydroxybenzoic acid
SMILESCC1CN(C(C(=O)Nc2ccc(O)c(C(=O)O)c2)c2ccccc2)CC(C)O1
InChIInChI=1S/C21H24N2O5/c1-13-11-23(12-14(2)28-13)19(15-6-4-3-5-7-15)20(25)22-16-8-9-18(24)17(10-16)21(26)27/h3-10,13-14,19,24H,11-12H2,1-2H3,(H,22,25)(H,26,27)
InChIKeyZSGPGLOJJRSFQZ-UHFFFAOYSA-N
XLogP2.88
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-methylphenyl)-2-phenylacetamide
CID 30126358
5-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-hydroxybenzoic acid
CID 104959655
(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-phenylacetamide
CID 92787390
2-(3,5-dimethylpiperidin-1-yl)-2-phenyl-N-(4-propan-2-ylphenyl)acetamide
CID 4130031
5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]-2-hydroxybenzoic acid
CID 136557404
(2S)-N-(3-chloro-4-methoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]-2-phenylacetamide
CID 6598333
(2R)-N-(3-chloro-4-methoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]-2-phenylacetamide
CID 2419129
N-(1,3-benzodioxol-5-ylmethyl)-2-(2,6-dimethylmorpholin-4-yl)-2-phenylacetamide
CID 86977722
2-hydroxy-5-[(5-methyloxolane-3-carbonyl)amino]benzoic acid
CID 114824292
2-hydroxy-5-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)benzoic acid
CID 66369326
(2S)-N-(3-chloro-4-methylphenyl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
CID 8896671
(2R)-N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-(4-phenylpiperazin-1-yl)acetamide
CID 2549166

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2,6-dimethylmorpholin-4-yl)-2-phenylacetyl]amino]-2-hydroxybenzoic acid?
The IUPAC name of 5-[[2-(2,6-dimethylmorpholin-4-yl)-2-phenylacetyl]amino]-2-hydroxybenzoic acid (CID 4974400) is 5-[[2-(2,6-dimethylmorpholin-4-yl)-2-phenylacetyl]amino]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[[2-(2,6-dimethylmorpholin-4-yl)-2-phenylacetyl]amino]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[[2-(2,6-dimethylmorpholin-4-yl)-2-phenylacetyl]amino]-2-hydroxybenzoic acid is CC1CN(C(C(=O)Nc2ccc(O)c(C(=O)O)c2)c2ccccc2)CC(C)O1.
What is the InChIKey of 5-[[2-(2,6-dimethylmorpholin-4-yl)-2-phenylacetyl]amino]-2-hydroxybenzoic acid?
The InChIKey is ZSGPGLOJJRSFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-13-11-23(12-14(2)28-13)19(15-6-4-3-5-7-15)20(25)22-16-8-9-18(24)17(10-16)21(26)27/h3-10,13-14,19,24H,11-12H2,1-2H3,(H,22,25)(H,26,27).
What are the key properties of 5-[[2-(2,6-dimethylmorpholin-4-yl)-2-phenylacetyl]amino]-2-hydroxybenzoic acid?
5-[[2-(2,6-dimethylmorpholin-4-yl)-2-phenylacetyl]amino]-2-hydroxybenzoic acid has a molecular weight of 384.43 g/mol, XLogP of 2.88, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2,6-dimethylmorpholin-4-yl)-2-phenylacetyl]amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 4974400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).