N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-(3-hydroxyphenyl)-N-methylacetamide

C13H19N3O3 — CID 54991694

IUPACN-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-(3-hydroxyphenyl)-N-methylacetamide
SMILESCC(CN(C)C(=O)Cc1cccc(O)c1)/C(N)=N/O
InChIInChI=1S/C13H19N3O3/c1-9(13(14)15-19)8-16(2)12(18)7-10-4-3-5-11(17)6-10/h3-6,9,17,19H,7-8H2,1-2H3,(H2,14,15)
InChIKeySLKSCBVXKDFWGW-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.78
Rot. Bonds5

About N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-(3-hydroxyphenyl)-N-methylacetamide

N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-(3-hydroxyphenyl)-N-methylacetamide (PubChem CID 54991694) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-(3-hydroxyphenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-(3-hydroxyphenyl)-N-methylacetamide
PubChem CID54991694
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-(3-hydroxyphenyl)-N-methylacetamide
SMILESCC(CN(C)C(=O)Cc1cccc(O)c1)/C(N)=N/O
InChIInChI=1S/C13H19N3O3/c1-9(13(14)15-19)8-16(2)12(18)7-10-4-3-5-11(17)6-10/h3-6,9,17,19H,7-8H2,1-2H3,(H2,14,15)
InChIKeySLKSCBVXKDFWGW-UHFFFAOYSA-N
XLogP0.78
TPSA99.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.78
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'}

Analyze N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-(3-hydroxyphenyl)-N-methylacetamide 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

N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-methyl-2-(3-methylphenyl)acetamide
CID 62388710
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methyl-3-(2-methylphenyl)propanamide
CID 76941574
N-(1-amino-1-hydroxyiminopentan-2-yl)-2-(3-hydroxyphenyl)acetamide
CID 61399930
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-3-hydroxybenzamide
CID 54987785
1-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-benzyl-1-methylurea
CID 107654469
2-(3-hydroxyphenyl)-N-(2-methylpropyl)-N-propan-2-ylacetamide
CID 55000494
N-(4-aminobutan-2-yl)-2-(3-hydroxyphenyl)-N-methylacetamide
CID 55173941
N-ethyl-2-(3-hydroxyphenyl)-N-(2-methylpropyl)acetamide
CID 61399862
2-(3-hydroxyphenyl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 61399859
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3,4-dihydroxy-N-methylbenzamide
CID 107728901
N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(4-methoxyphenyl)-N-methylpropanamide
CID 76910826
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methyl-3-propan-2-yloxybenzamide
CID 76977902

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-(3-hydroxyphenyl)-N-methylacetamide?
The IUPAC name of N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-(3-hydroxyphenyl)-N-methylacetamide (CID 54991694) is N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-(3-hydroxyphenyl)-N-methylacetamide.
What is the SMILES notation for N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-(3-hydroxyphenyl)-N-methylacetamide?
The canonical SMILES for N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-(3-hydroxyphenyl)-N-methylacetamide is CC(CN(C)C(=O)Cc1cccc(O)c1)/C(N)=N/O.
What is the InChIKey of N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-(3-hydroxyphenyl)-N-methylacetamide?
The InChIKey is SLKSCBVXKDFWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9(13(14)15-19)8-16(2)12(18)7-10-4-3-5-11(17)6-10/h3-6,9,17,19H,7-8H2,1-2H3,(H2,14,15).
What are the key properties of N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-(3-hydroxyphenyl)-N-methylacetamide?
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-(3-hydroxyphenyl)-N-methylacetamide has a molecular weight of 265.31 g/mol, XLogP of 0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-2-(3-hydroxyphenyl)-N-methylacetamide is sourced from PubChem (CID 54991694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).