N-[4-(N'-hydroxycarbamimidoyl)phenyl]-2-methoxyacetamide

C10H13N3O3 — CID 61277576

IUPACN-[4-(N'-hydroxycarbamimidoyl)phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc(C(N)=NO)cc1
InChIInChI=1S/C10H13N3O3/c1-16-6-9(14)12-8-4-2-7(3-5-8)10(11)13-15/h2-5,15H,6H2,1H3,(H2,11,13)(H,12,14)
InChIKeyGHYURBOPHUCNEN-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.37
Rot. Bonds4

About N-[4-(N'-hydroxycarbamimidoyl)phenyl]-2-methoxyacetamide

N-[4-(N'-hydroxycarbamimidoyl)phenyl]-2-methoxyacetamide (PubChem CID 61277576) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is N-[4-(N'-hydroxycarbamimidoyl)phenyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[4-(N'-hydroxycarbamimidoyl)phenyl]-2-methoxyacetamide
PubChem CID61277576
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC NameN-[4-(N'-hydroxycarbamimidoyl)phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc(C(N)=NO)cc1
InChIInChI=1S/C10H13N3O3/c1-16-6-9(14)12-8-4-2-7(3-5-8)10(11)13-15/h2-5,15H,6H2,1H3,(H2,11,13)(H,12,14)
InChIKeyGHYURBOPHUCNEN-UHFFFAOYSA-N
XLogP0.37
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

N,N'-bis[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]pentanediamide
CID 59542856
N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-N'-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]pentanediamide
CID 46945588
N-[4-(2-amino-2-hydroxyiminoethoxy)phenyl]-2-methoxyacetamide
CID 61277783
N-[4-[(Z)-N'-hydroxycarbamimidoyl]-2-methoxyphenyl]-2-methoxyacetamide
CID 104849887
2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]acetamide
CID 43708154
N-(4-hydrazinylphenyl)-2-methoxyacetamide
CID 141361616
2-[4-[(2-methoxyacetyl)amino]phenoxy]acetamide
CID 47156560
4-[(2-methoxyacetyl)amino]-N-phenylbenzamide
CID 138999243
methyl 4-(N'-hydroxycarbamimidoyl)benzoate
CID 6815810
butyl 4-[(2-methoxyacetyl)amino]benzoate
CID 19178350
2-(3-ethoxycyclobutyl)-N-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]acetamide
CID 103166077
4-[[4-[(2-methoxyacetyl)amino]phenyl]sulfamoyl]benzamide
CID 30805411

Frequently Asked Questions

What is the IUPAC name of N-[4-(N'-hydroxycarbamimidoyl)phenyl]-2-methoxyacetamide?
The IUPAC name of N-[4-(N'-hydroxycarbamimidoyl)phenyl]-2-methoxyacetamide (CID 61277576) is N-[4-(N'-hydroxycarbamimidoyl)phenyl]-2-methoxyacetamide.
What is the SMILES notation for N-[4-(N'-hydroxycarbamimidoyl)phenyl]-2-methoxyacetamide?
The canonical SMILES for N-[4-(N'-hydroxycarbamimidoyl)phenyl]-2-methoxyacetamide is COCC(=O)Nc1ccc(C(N)=NO)cc1.
What is the InChIKey of N-[4-(N'-hydroxycarbamimidoyl)phenyl]-2-methoxyacetamide?
The InChIKey is GHYURBOPHUCNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-16-6-9(14)12-8-4-2-7(3-5-8)10(11)13-15/h2-5,15H,6H2,1H3,(H2,11,13)(H,12,14).
What are the key properties of N-[4-(N'-hydroxycarbamimidoyl)phenyl]-2-methoxyacetamide?
N-[4-(N'-hydroxycarbamimidoyl)phenyl]-2-methoxyacetamide has a molecular weight of 223.23 g/mol, XLogP of 0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(N'-hydroxycarbamimidoyl)phenyl]-2-methoxyacetamide is sourced from PubChem (CID 61277576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).