2-[4-(4-acetamidophenyl)-3-oxomorpholin-2-yl]-2-hydroxy-N-[4-(N'-methylcarbamimidoyl)phenyl]acetamide

C22H25N5O5 — CID 90717427

IUPAC2-[4-(4-acetamidophenyl)-3-oxomorpholin-2-yl]-2-hydroxy-N-[4-(N'-methylcarbamimidoyl)phenyl]acetamide
SMILESC/N=C(\N)c1ccc(NC(=O)C(O)C2OCCN(c3ccc(NC(C)=O)cc3)C2=O)cc1
InChIInChI=1S/C22H25N5O5/c1-13(28)25-15-7-9-17(10-8-15)27-11-12-32-19(22(27)31)18(29)21(30)26-16-5-3-14(4-6-16)20(23)24-2/h3-10,18-19,29H,11-12H2,1-2H3,(H2,23,24)(H,25,28)(H,26,30)
InChIKeyZUTCVRDGZWRJTH-UHFFFAOYSA-N
MW439.47 g/mol
LogP0.71
Rot. Bonds6

About 2-[4-(4-acetamidophenyl)-3-oxomorpholin-2-yl]-2-hydroxy-N-[4-(N'-methylcarbamimidoyl)phenyl]acetamide

2-[4-(4-acetamidophenyl)-3-oxomorpholin-2-yl]-2-hydroxy-N-[4-(N'-methylcarbamimidoyl)phenyl]acetamide (PubChem CID 90717427) has the molecular formula C22H25N5O5 and a molecular weight of 439.47 g/mol. Its IUPAC name is 2-[4-(4-acetamidophenyl)-3-oxomorpholin-2-yl]-2-hydroxy-N-[4-(N'-methylcarbamimidoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-acetamidophenyl)-3-oxomorpholin-2-yl]-2-hydroxy-N-[4-(N'-methylcarbamimidoyl)phenyl]acetamide
PubChem CID90717427
Molecular FormulaC22H25N5O5
Molecular Weight439.47 g/mol
Exact Mass439.19
IUPAC Name2-[4-(4-acetamidophenyl)-3-oxomorpholin-2-yl]-2-hydroxy-N-[4-(N'-methylcarbamimidoyl)phenyl]acetamide
SMILESC/N=C(\N)c1ccc(NC(=O)C(O)C2OCCN(c3ccc(NC(C)=O)cc3)C2=O)cc1
InChIInChI=1S/C22H25N5O5/c1-13(28)25-15-7-9-17(10-8-15)27-11-12-32-19(22(27)31)18(29)21(30)26-16-5-3-14(4-6-16)20(23)24-2/h3-10,18-19,29H,11-12H2,1-2H3,(H2,23,24)(H,25,28)(H,26,30)
InChIKeyZUTCVRDGZWRJTH-UHFFFAOYSA-N
XLogP0.71
TPSA146.35 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 50.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-carbamimidoylphenyl)-2-[(2R)-4-(4-ethylphenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 140562853
(2R)-N-(4-carbamimidoylphenyl)-2-[(2R)-4-[4-(ethylamino)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 58181485
(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-3-oxo-4-(4-propan-2-ylphenyl)morpholin-2-yl]acetamide;hydrochloride
CID 67222053
(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-4-[4-(methylsulfanylamino)phenyl]-3-oxomorpholin-2-yl]acetamide
CID 148606620
(2R)-N-(4-carbamohydrazonoylphenyl)-2-[(2R)-4-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 118501227
N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-4-(4-iodophenyl)-3-oxomorpholin-2-yl]acetamide;hydrochloride
CID 140562942
N-(4-carbamimidoylphenyl)-2-[(2R)-4-(4-ethylphenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide;hydrochloride
CID 140562852
(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-4-[4-(hydroxymethyl)phenyl]-3-oxomorpholin-2-yl]acetamide;hydrochloride
CID 67222073
(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(pentafluoro-λ6-sulfanyl)phenyl]morpholin-2-yl]acetamide
CID 58181784
(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(2-oxopyrrolidin-1-yl)phenyl]morpholin-2-yl]acetamide;hydrochloride
CID 67223354
(2R)-N-(4-carbamimidoylphenyl)-2-[4-(4-cyclohexylphenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 46221305
(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-4-(2-methyl-1-oxo-3H-isoindol-5-yl)-3-oxomorpholin-2-yl]acetamide
CID 58181928

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-acetamidophenyl)-3-oxomorpholin-2-yl]-2-hydroxy-N-[4-(N'-methylcarbamimidoyl)phenyl]acetamide?
The IUPAC name of 2-[4-(4-acetamidophenyl)-3-oxomorpholin-2-yl]-2-hydroxy-N-[4-(N'-methylcarbamimidoyl)phenyl]acetamide (CID 90717427) is 2-[4-(4-acetamidophenyl)-3-oxomorpholin-2-yl]-2-hydroxy-N-[4-(N'-methylcarbamimidoyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(4-acetamidophenyl)-3-oxomorpholin-2-yl]-2-hydroxy-N-[4-(N'-methylcarbamimidoyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(4-acetamidophenyl)-3-oxomorpholin-2-yl]-2-hydroxy-N-[4-(N'-methylcarbamimidoyl)phenyl]acetamide is C/N=C(\N)c1ccc(NC(=O)C(O)C2OCCN(c3ccc(NC(C)=O)cc3)C2=O)cc1.
What is the InChIKey of 2-[4-(4-acetamidophenyl)-3-oxomorpholin-2-yl]-2-hydroxy-N-[4-(N'-methylcarbamimidoyl)phenyl]acetamide?
The InChIKey is ZUTCVRDGZWRJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O5/c1-13(28)25-15-7-9-17(10-8-15)27-11-12-32-19(22(27)31)18(29)21(30)26-16-5-3-14(4-6-16)20(23)24-2/h3-10,18-19,29H,11-12H2,1-2H3,(H2,23,24)(H,25,28)(H,26,30).
What are the key properties of 2-[4-(4-acetamidophenyl)-3-oxomorpholin-2-yl]-2-hydroxy-N-[4-(N'-methylcarbamimidoyl)phenyl]acetamide?
2-[4-(4-acetamidophenyl)-3-oxomorpholin-2-yl]-2-hydroxy-N-[4-(N'-methylcarbamimidoyl)phenyl]acetamide has a molecular weight of 439.47 g/mol, XLogP of 0.71, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-acetamidophenyl)-3-oxomorpholin-2-yl]-2-hydroxy-N-[4-(N'-methylcarbamimidoyl)phenyl]acetamide is sourced from PubChem (CID 90717427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).