N-(1-amino-1-hydroxyiminopentan-2-yl)-2-(3-hydroxyphenyl)acetamide

C13H19N3O3 — CID 61399930

IUPACN-(1-amino-1-hydroxyiminopentan-2-yl)-2-(3-hydroxyphenyl)acetamide
SMILESCCCC(NC(=O)Cc1cccc(O)c1)C(N)=NO
InChIInChI=1S/C13H19N3O3/c1-2-4-11(13(14)16-19)15-12(18)8-9-5-3-6-10(17)7-9/h3,5-7,11,17,19H,2,4,8H2,1H3,(H2,14,16)(H,15,18)
InChIKeyLTDGXNBEYIOBTR-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.97
Rot. Bonds6

About N-(1-amino-1-hydroxyiminopentan-2-yl)-2-(3-hydroxyphenyl)acetamide

N-(1-amino-1-hydroxyiminopentan-2-yl)-2-(3-hydroxyphenyl)acetamide (PubChem CID 61399930) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyiminopentan-2-yl)-2-(3-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyiminopentan-2-yl)-2-(3-hydroxyphenyl)acetamide
PubChem CID61399930
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-(1-amino-1-hydroxyiminopentan-2-yl)-2-(3-hydroxyphenyl)acetamide
SMILESCCCC(NC(=O)Cc1cccc(O)c1)C(N)=NO
InChIInChI=1S/C13H19N3O3/c1-2-4-11(13(14)16-19)15-12(18)8-9-5-3-6-10(17)7-9/h3,5-7,11,17,19H,2,4,8H2,1H3,(H2,14,16)(H,15,18)
InChIKeyLTDGXNBEYIOBTR-UHFFFAOYSA-N
XLogP0.97
TPSA107.94 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.97
H-Bond Donors ≤ 54
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-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]-3,5-dihydroxybenzamide
CID 107705570
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-(3-hydroxyphenyl)-N-methylacetamide
CID 54991694
N-(1-amino-1-hydroxyiminopentan-2-yl)-3-propan-2-yloxybenzamide
CID 76977889
(2S)-2-[[2-(3-hydroxyphenyl)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107820137
(2R)-3-hydroxy-2-[[2-(3-hydroxyphenyl)acetyl]amino]propanoic acid
CID 80749726
N-(1-chlorobutan-2-yl)-2-(3-hydroxyphenyl)acetamide
CID 114294400
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-(3-methylphenyl)acetamide
CID 77038382
N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]pyridazine-4-carboxamide
CID 113439447
N-ethoxy-2-(3-hydroxyphenyl)acetamide
CID 62039263
2-[[2-(3-nitrophenyl)acetyl]amino]pentanoic acid
CID 115923925
N-(1-amino-1-hydroxyiminopentan-2-yl)-2-fluoro-6-methoxybenzamide
CID 77069364
(2S)-2-[[2-(3-chlorophenyl)acetyl]amino]hexanoic acid
CID 94460375

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-hydroxyiminopentan-2-yl)-2-(3-hydroxyphenyl)acetamide?
The IUPAC name of N-(1-amino-1-hydroxyiminopentan-2-yl)-2-(3-hydroxyphenyl)acetamide (CID 61399930) is N-(1-amino-1-hydroxyiminopentan-2-yl)-2-(3-hydroxyphenyl)acetamide.
What is the SMILES notation for N-(1-amino-1-hydroxyiminopentan-2-yl)-2-(3-hydroxyphenyl)acetamide?
The canonical SMILES for N-(1-amino-1-hydroxyiminopentan-2-yl)-2-(3-hydroxyphenyl)acetamide is CCCC(NC(=O)Cc1cccc(O)c1)C(N)=NO.
What is the InChIKey of N-(1-amino-1-hydroxyiminopentan-2-yl)-2-(3-hydroxyphenyl)acetamide?
The InChIKey is LTDGXNBEYIOBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-2-4-11(13(14)16-19)15-12(18)8-9-5-3-6-10(17)7-9/h3,5-7,11,17,19H,2,4,8H2,1H3,(H2,14,16)(H,15,18).
What are the key properties of N-(1-amino-1-hydroxyiminopentan-2-yl)-2-(3-hydroxyphenyl)acetamide?
N-(1-amino-1-hydroxyiminopentan-2-yl)-2-(3-hydroxyphenyl)acetamide has a molecular weight of 265.31 g/mol, XLogP of 0.97, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-hydroxyiminopentan-2-yl)-2-(3-hydroxyphenyl)acetamide is sourced from PubChem (CID 61399930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).