N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-3-oxo-4-(2-propan-2-yloxyphenyl)morpholin-2-yl]acetamide

C22H26N4O5 — CID 140562856

IUPACN-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-3-oxo-4-(2-propan-2-yloxyphenyl)morpholin-2-yl]acetamide
SMILES[H]/N=C(\N)c1ccc(NC(=O)C(O)[C@H]2OCCN(c3ccccc3OC(C)C)C2=O)cc1
InChIInChI=1S/C22H26N4O5/c1-13(2)31-17-6-4-3-5-16(17)26-11-12-30-19(22(26)29)18(27)21(28)25-15-9-7-14(8-10-15)20(23)24/h3-10,13,18-19,27H,11-12H2,1-2H3,(H3,23,24)(H,25,28)/t18?,19-/m1/s1
InChIKeyCLDZPAIEWGGQJU-MUMRKEEXSA-N
MW426.47 g/mol
LogP1.49
Rot. Bonds7

About N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-3-oxo-4-(2-propan-2-yloxyphenyl)morpholin-2-yl]acetamide

N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-3-oxo-4-(2-propan-2-yloxyphenyl)morpholin-2-yl]acetamide (PubChem CID 140562856) has the molecular formula C22H26N4O5 and a molecular weight of 426.47 g/mol. Its IUPAC name is N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-3-oxo-4-(2-propan-2-yloxyphenyl)morpholin-2-yl]acetamide.

Molecular Properties

Compound NameN-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-3-oxo-4-(2-propan-2-yloxyphenyl)morpholin-2-yl]acetamide
PubChem CID140562856
Molecular FormulaC22H26N4O5
Molecular Weight426.47 g/mol
Exact Mass426.19
IUPAC NameN-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-3-oxo-4-(2-propan-2-yloxyphenyl)morpholin-2-yl]acetamide
SMILES[H]/N=C(\N)c1ccc(NC(=O)C(O)[C@H]2OCCN(c3ccccc3OC(C)C)C2=O)cc1
InChIInChI=1S/C22H26N4O5/c1-13(2)31-17-6-4-3-5-16(17)26-11-12-30-19(22(26)29)18(27)21(28)25-15-9-7-14(8-10-15)20(23)24/h3-10,13,18-19,27H,11-12H2,1-2H3,(H3,23,24)(H,25,28)/t18?,19-/m1/s1
InChIKeyCLDZPAIEWGGQJU-MUMRKEEXSA-N
XLogP1.49
TPSA137.97 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 51.49
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

(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-3-oxo-4-(4-propan-2-ylphenyl)morpholin-2-yl]acetamide;hydrochloride
CID 67222053
(2R)-2-[(2R)-4-[3-(azetidine-1-carbonyl)-2-methylphenyl]-3-oxomorpholin-2-yl]-N-(4-carbamimidoylphenyl)-2-hydroxyacetamide
CID 50995939
(2R)-N-(4-carbamimidoylphenyl)-2-[(2R)-4-[4-(ethylamino)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 58181485
N-(4-carbamimidoylphenyl)-2-[(2R)-4-(4-ethylphenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 140562853
(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)-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)-3-oxo-4-[4-(pentafluoro-λ6-sulfanyl)phenyl]morpholin-2-yl]acetamide
CID 58181784
(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-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]morpholin-2-yl]acetamide;hydrochloride
CID 67223464
(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-hydroxy-2-[(2R)-3-oxo-4-[3-(trifluoromethoxy)phenyl]morpholin-2-yl]acetamide;hydrochloride
CID 67222724

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-3-oxo-4-(2-propan-2-yloxyphenyl)morpholin-2-yl]acetamide?
The IUPAC name of N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-3-oxo-4-(2-propan-2-yloxyphenyl)morpholin-2-yl]acetamide (CID 140562856) is N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-3-oxo-4-(2-propan-2-yloxyphenyl)morpholin-2-yl]acetamide.
What is the SMILES notation for N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-3-oxo-4-(2-propan-2-yloxyphenyl)morpholin-2-yl]acetamide?
The canonical SMILES for N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-3-oxo-4-(2-propan-2-yloxyphenyl)morpholin-2-yl]acetamide is [H]/N=C(\N)c1ccc(NC(=O)C(O)[C@H]2OCCN(c3ccccc3OC(C)C)C2=O)cc1.
What is the InChIKey of N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-3-oxo-4-(2-propan-2-yloxyphenyl)morpholin-2-yl]acetamide?
The InChIKey is CLDZPAIEWGGQJU-MUMRKEEXSA-N. The full InChI is InChI=1S/C22H26N4O5/c1-13(2)31-17-6-4-3-5-16(17)26-11-12-30-19(22(26)29)18(27)21(28)25-15-9-7-14(8-10-15)20(23)24/h3-10,13,18-19,27H,11-12H2,1-2H3,(H3,23,24)(H,25,28)/t18?,19-/m1/s1.
What are the key properties of N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-3-oxo-4-(2-propan-2-yloxyphenyl)morpholin-2-yl]acetamide?
N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-3-oxo-4-(2-propan-2-yloxyphenyl)morpholin-2-yl]acetamide has a molecular weight of 426.47 g/mol, XLogP of 1.49, 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-[(2R)-3-oxo-4-(2-propan-2-yloxyphenyl)morpholin-2-yl]acetamide is sourced from PubChem (CID 140562856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).