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

C21H24N4O5 — CID 76717364

IUPACN-(4-carbamimidoylphenyl)-2-hydroxy-2-[4-[(4-methoxyphenyl)methyl]-3-oxomorpholin-2-yl]acetamide
SMILES[H]/N=C(\N)c1ccc(NC(=O)C(O)C2OCCN(Cc3ccc(OC)cc3)C2=O)cc1
InChIInChI=1S/C21H24N4O5/c1-29-16-8-2-13(3-9-16)12-25-10-11-30-18(21(25)28)17(26)20(27)24-15-6-4-14(5-7-15)19(22)23/h2-9,17-18,26H,10-12H2,1H3,(H3,22,23)(H,24,27)
InChIKeyPIWOMDMVGLOOBH-UHFFFAOYSA-N
MW412.45 g/mol
LogP0.71
Rot. Bonds7

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

N-(4-carbamimidoylphenyl)-2-hydroxy-2-[4-[(4-methoxyphenyl)methyl]-3-oxomorpholin-2-yl]acetamide (PubChem CID 76717364) has the molecular formula C21H24N4O5 and a molecular weight of 412.45 g/mol. Its IUPAC name is N-(4-carbamimidoylphenyl)-2-hydroxy-2-[4-[(4-methoxyphenyl)methyl]-3-oxomorpholin-2-yl]acetamide.

Molecular Properties

Compound NameN-(4-carbamimidoylphenyl)-2-hydroxy-2-[4-[(4-methoxyphenyl)methyl]-3-oxomorpholin-2-yl]acetamide
PubChem CID76717364
Molecular FormulaC21H24N4O5
Molecular Weight412.45 g/mol
Exact Mass412.17
IUPAC NameN-(4-carbamimidoylphenyl)-2-hydroxy-2-[4-[(4-methoxyphenyl)methyl]-3-oxomorpholin-2-yl]acetamide
SMILES[H]/N=C(\N)c1ccc(NC(=O)C(O)C2OCCN(Cc3ccc(OC)cc3)C2=O)cc1
InChIInChI=1S/C21H24N4O5/c1-29-16-8-2-13(3-9-16)12-25-10-11-30-18(21(25)28)17(26)20(27)24-15-6-4-14(5-7-15)19(22)23/h2-9,17-18,26H,10-12H2,1H3,(H3,22,23)(H,24,27)
InChIKeyPIWOMDMVGLOOBH-UHFFFAOYSA-N
XLogP0.71
TPSA137.97 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
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'}

Analyze N-(4-carbamimidoylphenyl)-2-hydroxy-2-[4-[(4-methoxyphenyl)methyl]-3-oxomorpholin-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-4-[(4-methoxyphenyl)methyl]-3-oxomorpholin-2-yl]acetamide;hydrochloride
CID 140562831
(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-4-[(4-methylphenyl)methyl]-3-oxomorpholin-2-yl]acetamide
CID 58181453
N-(4-carbamimidoylphenyl)-2-[(2R)-4-(4-ethylphenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 140562853
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-[(2R)-4-[4-(ethylamino)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 58181485
(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-4-[4-(methylsulfanylamino)phenyl]-3-oxomorpholin-2-yl]acetamide
CID 148606620
N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-3-oxo-4-(2-propan-2-yloxyphenyl)morpholin-2-yl]acetamide
CID 140562856
N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-4-(4-iodophenyl)-3-oxomorpholin-2-yl]acetamide;hydrochloride
CID 140562942
(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
N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-4-(1H-indol-6-yl)-3-oxomorpholin-2-yl]acetamide
CID 140562851

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamimidoylphenyl)-2-hydroxy-2-[4-[(4-methoxyphenyl)methyl]-3-oxomorpholin-2-yl]acetamide?
The IUPAC name of N-(4-carbamimidoylphenyl)-2-hydroxy-2-[4-[(4-methoxyphenyl)methyl]-3-oxomorpholin-2-yl]acetamide (CID 76717364) is N-(4-carbamimidoylphenyl)-2-hydroxy-2-[4-[(4-methoxyphenyl)methyl]-3-oxomorpholin-2-yl]acetamide.
What is the SMILES notation for N-(4-carbamimidoylphenyl)-2-hydroxy-2-[4-[(4-methoxyphenyl)methyl]-3-oxomorpholin-2-yl]acetamide?
The canonical SMILES for N-(4-carbamimidoylphenyl)-2-hydroxy-2-[4-[(4-methoxyphenyl)methyl]-3-oxomorpholin-2-yl]acetamide is [H]/N=C(\N)c1ccc(NC(=O)C(O)C2OCCN(Cc3ccc(OC)cc3)C2=O)cc1.
What is the InChIKey of N-(4-carbamimidoylphenyl)-2-hydroxy-2-[4-[(4-methoxyphenyl)methyl]-3-oxomorpholin-2-yl]acetamide?
The InChIKey is PIWOMDMVGLOOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O5/c1-29-16-8-2-13(3-9-16)12-25-10-11-30-18(21(25)28)17(26)20(27)24-15-6-4-14(5-7-15)19(22)23/h2-9,17-18,26H,10-12H2,1H3,(H3,22,23)(H,24,27).
What are the key properties of N-(4-carbamimidoylphenyl)-2-hydroxy-2-[4-[(4-methoxyphenyl)methyl]-3-oxomorpholin-2-yl]acetamide?
N-(4-carbamimidoylphenyl)-2-hydroxy-2-[4-[(4-methoxyphenyl)methyl]-3-oxomorpholin-2-yl]acetamide has a molecular weight of 412.45 g/mol, XLogP of 0.71, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamimidoylphenyl)-2-hydroxy-2-[4-[(4-methoxyphenyl)methyl]-3-oxomorpholin-2-yl]acetamide is sourced from PubChem (CID 76717364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).