N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2,6-dihydroxy-N-propan-2-ylbenzamide

C13H19N3O4 — CID 107690844

IUPACN-[(3Z)-3-amino-3-hydroxyiminopropyl]-2,6-dihydroxy-N-propan-2-ylbenzamide
SMILESCC(C)N(CC/C(N)=N/O)C(=O)c1c(O)cccc1O
InChIInChI=1S/C13H19N3O4/c1-8(2)16(7-6-11(14)15-20)13(19)12-9(17)4-3-5-10(12)18/h3-5,8,17-18,20H,6-7H2,1-2H3,(H2,14,15)
InChIKeyZOPWSUXSSDLCFH-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.08
Rot. Bonds5

About N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2,6-dihydroxy-N-propan-2-ylbenzamide

N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2,6-dihydroxy-N-propan-2-ylbenzamide (PubChem CID 107690844) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2,6-dihydroxy-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[(3Z)-3-amino-3-hydroxyiminopropyl]-2,6-dihydroxy-N-propan-2-ylbenzamide
PubChem CID107690844
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC NameN-[(3Z)-3-amino-3-hydroxyiminopropyl]-2,6-dihydroxy-N-propan-2-ylbenzamide
SMILESCC(C)N(CC/C(N)=N/O)C(=O)c1c(O)cccc1O
InChIInChI=1S/C13H19N3O4/c1-8(2)16(7-6-11(14)15-20)13(19)12-9(17)4-3-5-10(12)18/h3-5,8,17-18,20H,6-7H2,1-2H3,(H2,14,15)
InChIKeyZOPWSUXSSDLCFH-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
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'}

Analyze N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2,6-dihydroxy-N-propan-2-ylbenzamide 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

2,6-dihydroxy-N-propan-2-yl-N-propylbenzamide
CID 107689064
N-(3-amino-3-hydroxyiminopropyl)-4-ethyl-N-propan-2-ylbenzamide
CID 76911411
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-5-bromo-N-propan-2-ylthiophene-2-carboxamide
CID 54996374
N-(3-amino-3-hydroxyiminopropyl)-5-chloro-2-fluoro-N-propan-2-ylbenzamide
CID 76911446
N-(3-amino-3-hydroxyiminopropyl)-3-ethyl-N-propan-2-ylthiophene-2-carboxamide
CID 79975897
N-ethyl-2,6-dihydroxy-N-propan-2-ylbenzamide
CID 107689061
N-(3-amino-3-hydroxyiminopropyl)-1,3,5-trimethyl-N-propan-2-ylpyrazole-4-carboxamide
CID 76911540
N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-yl-1H-pyrazole-4-carboxamide
CID 76983737
N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-ylpyrazine-2-carboxamide
CID 76937040
1-(3-amino-3-hydroxyiminopropyl)-3-(4-chlorophenyl)-1-propan-2-ylurea
CID 76911457
N-(3-amino-3-hydroxyiminopropyl)-2-methoxy-2-phenyl-N-propan-2-ylacetamide
CID 76935034
N-(3-amino-3-hydroxyiminopropyl)-2-(2-methoxyphenyl)-N-propan-2-ylacetamide
CID 76911443

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2,6-dihydroxy-N-propan-2-ylbenzamide?
The IUPAC name of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2,6-dihydroxy-N-propan-2-ylbenzamide (CID 107690844) is N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2,6-dihydroxy-N-propan-2-ylbenzamide.
What is the SMILES notation for N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2,6-dihydroxy-N-propan-2-ylbenzamide?
The canonical SMILES for N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2,6-dihydroxy-N-propan-2-ylbenzamide is CC(C)N(CC/C(N)=N/O)C(=O)c1c(O)cccc1O.
What is the InChIKey of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2,6-dihydroxy-N-propan-2-ylbenzamide?
The InChIKey is ZOPWSUXSSDLCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-8(2)16(7-6-11(14)15-20)13(19)12-9(17)4-3-5-10(12)18/h3-5,8,17-18,20H,6-7H2,1-2H3,(H2,14,15).
What are the key properties of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2,6-dihydroxy-N-propan-2-ylbenzamide?
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2,6-dihydroxy-N-propan-2-ylbenzamide has a molecular weight of 281.31 g/mol, XLogP of 1.08, 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-hydroxyiminopropyl]-2,6-dihydroxy-N-propan-2-ylbenzamide is sourced from PubChem (CID 107690844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).