N-(4-carbamimidoylphenyl)-2-[(2R)-4-[4-[(2-hydroxyacetyl)amino]phenyl]-3-oxomorpholin-2-yl]acetamide

C21H23N5O5 — CID 70224828

IUPACN-(4-carbamimidoylphenyl)-2-[(2R)-4-[4-[(2-hydroxyacetyl)amino]phenyl]-3-oxomorpholin-2-yl]acetamide
SMILES[H]/N=C(\N)c1ccc(NC(=O)C[C@H]2OCCN(c3ccc(NC(=O)CO)cc3)C2=O)cc1
InChIInChI=1S/C21H23N5O5/c22-20(23)13-1-3-14(4-2-13)24-18(28)11-17-21(30)26(9-10-31-17)16-7-5-15(6-8-16)25-19(29)12-27/h1-8,17,27H,9-12H2,(H3,22,23)(H,24,28)(H,25,29)/t17-/m1/s1
InChIKeyUKPZVWIRVZYVNC-QGZVFWFLSA-N
MW425.45 g/mol
LogP0.66
Rot. Bonds7

About N-(4-carbamimidoylphenyl)-2-[(2R)-4-[4-[(2-hydroxyacetyl)amino]phenyl]-3-oxomorpholin-2-yl]acetamide

N-(4-carbamimidoylphenyl)-2-[(2R)-4-[4-[(2-hydroxyacetyl)amino]phenyl]-3-oxomorpholin-2-yl]acetamide (PubChem CID 70224828) has the molecular formula C21H23N5O5 and a molecular weight of 425.45 g/mol. Its IUPAC name is N-(4-carbamimidoylphenyl)-2-[(2R)-4-[4-[(2-hydroxyacetyl)amino]phenyl]-3-oxomorpholin-2-yl]acetamide.

Molecular Properties

Compound NameN-(4-carbamimidoylphenyl)-2-[(2R)-4-[4-[(2-hydroxyacetyl)amino]phenyl]-3-oxomorpholin-2-yl]acetamide
PubChem CID70224828
Molecular FormulaC21H23N5O5
Molecular Weight425.45 g/mol
Exact Mass425.17
IUPAC NameN-(4-carbamimidoylphenyl)-2-[(2R)-4-[4-[(2-hydroxyacetyl)amino]phenyl]-3-oxomorpholin-2-yl]acetamide
SMILES[H]/N=C(\N)c1ccc(NC(=O)C[C@H]2OCCN(c3ccc(NC(=O)CO)cc3)C2=O)cc1
InChIInChI=1S/C21H23N5O5/c22-20(23)13-1-3-14(4-2-13)24-18(28)11-17-21(30)26(9-10-31-17)16-7-5-15(6-8-16)25-19(29)12-27/h1-8,17,27H,9-12H2,(H3,22,23)(H,24,28)(H,25,29)/t17-/m1/s1
InChIKeyUKPZVWIRVZYVNC-QGZVFWFLSA-N
XLogP0.66
TPSA157.84 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 50.66
H-Bond Donors ≤ 55
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-[(2R)-4-[4-[(2-hydroxyacetyl)amino]phenyl]-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-[(2R)-4-(2,2-dioxo-3,4-dihydro-1H-2λ6,3-benzothiazin-6-yl)-3-oxomorpholin-2-yl]acetamide
CID 70224120
(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)-4-[4-(methylsulfanylamino)phenyl]-3-oxomorpholin-2-yl]acetamide
CID 148606620
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
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-[4-(4-cyclohexylphenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 46221305
(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)-3-oxo-4-[4-(2-oxopyrrolidin-1-yl)phenyl]morpholin-2-yl]acetamide;hydrochloride
CID 67223354
(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-4-(4-morpholin-4-ylsulfonylphenyl)-3-oxomorpholin-2-yl]acetamide
CID 58181550

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamimidoylphenyl)-2-[(2R)-4-[4-[(2-hydroxyacetyl)amino]phenyl]-3-oxomorpholin-2-yl]acetamide?
The IUPAC name of N-(4-carbamimidoylphenyl)-2-[(2R)-4-[4-[(2-hydroxyacetyl)amino]phenyl]-3-oxomorpholin-2-yl]acetamide (CID 70224828) is N-(4-carbamimidoylphenyl)-2-[(2R)-4-[4-[(2-hydroxyacetyl)amino]phenyl]-3-oxomorpholin-2-yl]acetamide.
What is the SMILES notation for N-(4-carbamimidoylphenyl)-2-[(2R)-4-[4-[(2-hydroxyacetyl)amino]phenyl]-3-oxomorpholin-2-yl]acetamide?
The canonical SMILES for N-(4-carbamimidoylphenyl)-2-[(2R)-4-[4-[(2-hydroxyacetyl)amino]phenyl]-3-oxomorpholin-2-yl]acetamide is [H]/N=C(\N)c1ccc(NC(=O)C[C@H]2OCCN(c3ccc(NC(=O)CO)cc3)C2=O)cc1.
What is the InChIKey of N-(4-carbamimidoylphenyl)-2-[(2R)-4-[4-[(2-hydroxyacetyl)amino]phenyl]-3-oxomorpholin-2-yl]acetamide?
The InChIKey is UKPZVWIRVZYVNC-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H23N5O5/c22-20(23)13-1-3-14(4-2-13)24-18(28)11-17-21(30)26(9-10-31-17)16-7-5-15(6-8-16)25-19(29)12-27/h1-8,17,27H,9-12H2,(H3,22,23)(H,24,28)(H,25,29)/t17-/m1/s1.
What are the key properties of N-(4-carbamimidoylphenyl)-2-[(2R)-4-[4-[(2-hydroxyacetyl)amino]phenyl]-3-oxomorpholin-2-yl]acetamide?
N-(4-carbamimidoylphenyl)-2-[(2R)-4-[4-[(2-hydroxyacetyl)amino]phenyl]-3-oxomorpholin-2-yl]acetamide has a molecular weight of 425.45 g/mol, XLogP of 0.66, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamimidoylphenyl)-2-[(2R)-4-[4-[(2-hydroxyacetyl)amino]phenyl]-3-oxomorpholin-2-yl]acetamide is sourced from PubChem (CID 70224828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).