N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-3,5-dihydroxybenzamide

C13H19N3O4 — CID 107705588

IUPACN-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-3,5-dihydroxybenzamide
SMILESCCN(CC(C)/C(N)=N/O)C(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C13H19N3O4/c1-3-16(7-8(2)12(14)15-20)13(19)9-4-10(17)6-11(18)5-9/h4-6,8,17-18,20H,3,7H2,1-2H3,(H2,14,15)
InChIKeyCZKZKPJOOOBAJR-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.94
Rot. Bonds5

About N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-3,5-dihydroxybenzamide

N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-3,5-dihydroxybenzamide (PubChem CID 107705588) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-3,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-3,5-dihydroxybenzamide
PubChem CID107705588
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC NameN-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-3,5-dihydroxybenzamide
SMILESCCN(CC(C)/C(N)=N/O)C(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C13H19N3O4/c1-3-16(7-8(2)12(14)15-20)13(19)9-4-10(17)6-11(18)5-9/h4-6,8,17-18,20H,3,7H2,1-2H3,(H2,14,15)
InChIKeyCZKZKPJOOOBAJR-UHFFFAOYSA-N
XLogP0.94
TPSA119.38 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-3-hydroxybenzamide
CID 54987785
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-4-methoxybenzamide
CID 76910706
N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(dimethylamino)-N-ethylbenzamide
CID 76910771
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-2,4,6-trifluorobenzamide
CID 77056008
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-1-methylpyrazole-4-carboxamide
CID 54987485
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-1,3-thiazole-4-carboxamide
CID 76982221
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-4-fluoro-2-hydroxybenzamide
CID 107016221
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-2,6-difluorobenzamide
CID 76910656
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethylthiophene-2-carboxamide
CID 54987293
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2,4-dibromo-N-ethylbenzamide
CID 107940516
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3,5-dihydroxybenzamide
CID 107705617
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-1-methylpyrazole-3-carboxamide
CID 103121379

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-3,5-dihydroxybenzamide?
The IUPAC name of N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-3,5-dihydroxybenzamide (CID 107705588) is N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-3,5-dihydroxybenzamide.
What is the SMILES notation for N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-3,5-dihydroxybenzamide?
The canonical SMILES for N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-3,5-dihydroxybenzamide is CCN(CC(C)/C(N)=N/O)C(=O)c1cc(O)cc(O)c1.
What is the InChIKey of N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-3,5-dihydroxybenzamide?
The InChIKey is CZKZKPJOOOBAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-3-16(7-8(2)12(14)15-20)13(19)9-4-10(17)6-11(18)5-9/h4-6,8,17-18,20H,3,7H2,1-2H3,(H2,14,15).
What are the key properties of N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-3,5-dihydroxybenzamide?
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-3,5-dihydroxybenzamide has a molecular weight of 281.31 g/mol, XLogP of 0.94, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-3,5-dihydroxybenzamide is sourced from PubChem (CID 107705588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).