N-(4-carbamimidoylphenyl)-2-hydroxy-2-[4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetamide

C20H22N4O4 — CID 46220862

IUPACN-(4-carbamimidoylphenyl)-2-hydroxy-2-[4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetamide
SMILES[H]/N=C(\N)c1ccc(NC(=O)C(O)C2OCCN(c3ccc(C)cc3)C2=O)cc1
InChIInChI=1S/C20H22N4O4/c1-12-2-8-15(9-3-12)24-10-11-28-17(20(24)27)16(25)19(26)23-14-6-4-13(5-7-14)18(21)22/h2-9,16-17,25H,10-11H2,1H3,(H3,21,22)(H,23,26)
InChIKeyACVXWESSNHMPPX-UHFFFAOYSA-N
MW382.42 g/mol
LogP1.01
Rot. Bonds5

About N-(4-carbamimidoylphenyl)-2-hydroxy-2-[4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetamide

N-(4-carbamimidoylphenyl)-2-hydroxy-2-[4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetamide (PubChem CID 46220862) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-(4-carbamimidoylphenyl)-2-hydroxy-2-[4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetamide.

Molecular Properties

Compound NameN-(4-carbamimidoylphenyl)-2-hydroxy-2-[4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetamide
PubChem CID46220862
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC NameN-(4-carbamimidoylphenyl)-2-hydroxy-2-[4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetamide
SMILES[H]/N=C(\N)c1ccc(NC(=O)C(O)C2OCCN(c3ccc(C)cc3)C2=O)cc1
InChIInChI=1S/C20H22N4O4/c1-12-2-8-15(9-3-12)24-10-11-28-17(20(24)27)16(25)19(26)23-14-6-4-13(5-7-14)18(21)22/h2-9,16-17,25H,10-11H2,1H3,(H3,21,22)(H,23,26)
InChIKeyACVXWESSNHMPPX-UHFFFAOYSA-N
XLogP1.01
TPSA128.74 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-carbamimidoylphenyl)-2-hydroxy-2-[4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetamide?
The IUPAC name of N-(4-carbamimidoylphenyl)-2-hydroxy-2-[4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetamide (CID 46220862) is N-(4-carbamimidoylphenyl)-2-hydroxy-2-[4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetamide.
What is the SMILES notation for N-(4-carbamimidoylphenyl)-2-hydroxy-2-[4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetamide?
The canonical SMILES for N-(4-carbamimidoylphenyl)-2-hydroxy-2-[4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetamide is [H]/N=C(\N)c1ccc(NC(=O)C(O)C2OCCN(c3ccc(C)cc3)C2=O)cc1.
What is the InChIKey of N-(4-carbamimidoylphenyl)-2-hydroxy-2-[4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetamide?
The InChIKey is ACVXWESSNHMPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-12-2-8-15(9-3-12)24-10-11-28-17(20(24)27)16(25)19(26)23-14-6-4-13(5-7-14)18(21)22/h2-9,16-17,25H,10-11H2,1H3,(H3,21,22)(H,23,26).
What are the key properties of N-(4-carbamimidoylphenyl)-2-hydroxy-2-[4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetamide?
N-(4-carbamimidoylphenyl)-2-hydroxy-2-[4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetamide has a molecular weight of 382.42 g/mol, XLogP of 1.01, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamimidoylphenyl)-2-hydroxy-2-[4-(4-methylphenyl)-3-oxomorpholin-2-yl]acetamide is sourced from PubChem (CID 46220862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).