2-[5-amino-2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-N-(2-morpholin-4-ylethyl)-N-phenylacetamide

C22H28N4O3 — CID 131884008

IUPAC2-[5-amino-2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-N-(2-morpholin-4-ylethyl)-N-phenylacetamide
SMILESCC(=NO)c1ccc(N)cc1CC(=O)N(CCN1CCOCC1)c1ccccc1
InChIInChI=1S/C22H28N4O3/c1-17(24-28)21-8-7-19(23)15-18(21)16-22(27)26(20-5-3-2-4-6-20)10-9-25-11-13-29-14-12-25/h2-8,15,28H,9-14,16,23H2,1H3
InChIKeyXESIBZNAMLVMCY-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.37
Rot. Bonds7

About 2-[5-amino-2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-N-(2-morpholin-4-ylethyl)-N-phenylacetamide

2-[5-amino-2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-N-(2-morpholin-4-ylethyl)-N-phenylacetamide (PubChem CID 131884008) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-[5-amino-2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-N-(2-morpholin-4-ylethyl)-N-phenylacetamide.

Molecular Properties

Compound Name2-[5-amino-2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-N-(2-morpholin-4-ylethyl)-N-phenylacetamide
PubChem CID131884008
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name2-[5-amino-2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-N-(2-morpholin-4-ylethyl)-N-phenylacetamide
SMILESCC(=NO)c1ccc(N)cc1CC(=O)N(CCN1CCOCC1)c1ccccc1
InChIInChI=1S/C22H28N4O3/c1-17(24-28)21-8-7-19(23)15-18(21)16-22(27)26(20-5-3-2-4-6-20)10-9-25-11-13-29-14-12-25/h2-8,15,28H,9-14,16,23H2,1H3
InChIKeyXESIBZNAMLVMCY-UHFFFAOYSA-N
XLogP2.37
TPSA91.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-N-(2-morpholin-4-ylethyl)-N-phenylbenzamide
CID 99181718
4-fluoro-N-(2-morpholin-4-ylethyl)-N-phenylbenzamide
CID 134025432
N-[3-[N-(2-morpholin-4-ylethyl)anilino]-3-oxopropyl]naphthalene-2-carboxamide
CID 60622352
2-methyl-N-(2-morpholin-4-ylethyl)-3,5-dinitro-N-phenylbenzamide
CID 60622382
N,2-diphenyl-N-(2-piperidin-1-ylethyl)acetamide
CID 23882390
3-(2-fluorophenyl)sulfanyl-N-(2-morpholin-4-ylethyl)-N-phenylpropanamide
CID 52811003
N'-ethyl-N-(2-morpholin-4-ylethyl)-N'-phenylpropanediamide
CID 108944050
N-methyl-2-(2-methylphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 110753270
4-[N-(2-morpholin-4-ylethyl)anilino]butanoic acid
CID 60838256
2,4-diamino-N-(3-morpholin-4-ylpropyl)benzamide
CID 61092801
N-(2-morpholin-4-ylethyl)-7-oxo-N-phenylthieno[2,3-a]quinolizine-4-carboxamide
CID 57021922
2-methyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(3-morpholin-4-ylpropyl)propanamide
CID 42701327

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-N-(2-morpholin-4-ylethyl)-N-phenylacetamide?
The IUPAC name of 2-[5-amino-2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-N-(2-morpholin-4-ylethyl)-N-phenylacetamide (CID 131884008) is 2-[5-amino-2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-N-(2-morpholin-4-ylethyl)-N-phenylacetamide.
What is the SMILES notation for 2-[5-amino-2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-N-(2-morpholin-4-ylethyl)-N-phenylacetamide?
The canonical SMILES for 2-[5-amino-2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-N-(2-morpholin-4-ylethyl)-N-phenylacetamide is CC(=NO)c1ccc(N)cc1CC(=O)N(CCN1CCOCC1)c1ccccc1.
What is the InChIKey of 2-[5-amino-2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-N-(2-morpholin-4-ylethyl)-N-phenylacetamide?
The InChIKey is XESIBZNAMLVMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-17(24-28)21-8-7-19(23)15-18(21)16-22(27)26(20-5-3-2-4-6-20)10-9-25-11-13-29-14-12-25/h2-8,15,28H,9-14,16,23H2,1H3.
What are the key properties of 2-[5-amino-2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-N-(2-morpholin-4-ylethyl)-N-phenylacetamide?
2-[5-amino-2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-N-(2-morpholin-4-ylethyl)-N-phenylacetamide has a molecular weight of 396.49 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-2-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-N-(2-morpholin-4-ylethyl)-N-phenylacetamide is sourced from PubChem (CID 131884008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).