3-amino-3-hydroxyimino-N-methyl-N-[(2-methylphenyl)methyl]propanamide

C12H17N3O2 — CID 55135540

IUPAC3-amino-3-hydroxyimino-N-methyl-N-[(2-methylphenyl)methyl]propanamide
SMILESCc1ccccc1CN(C)C(=O)CC(N)=NO
InChIInChI=1S/C12H17N3O2/c1-9-5-3-4-6-10(9)8-15(2)12(16)7-11(13)14-17/h3-6,17H,7-8H2,1-2H3,(H2,13,14)
InChIKeyYAHRBMGLNCOQRY-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.09
Rot. Bonds4

About 3-amino-3-hydroxyimino-N-methyl-N-[(2-methylphenyl)methyl]propanamide

3-amino-3-hydroxyimino-N-methyl-N-[(2-methylphenyl)methyl]propanamide (PubChem CID 55135540) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-amino-3-hydroxyimino-N-methyl-N-[(2-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-amino-3-hydroxyimino-N-methyl-N-[(2-methylphenyl)methyl]propanamide
PubChem CID55135540
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-amino-3-hydroxyimino-N-methyl-N-[(2-methylphenyl)methyl]propanamide
SMILESCc1ccccc1CN(C)C(=O)CC(N)=NO
InChIInChI=1S/C12H17N3O2/c1-9-5-3-4-6-10(9)8-15(2)12(16)7-11(13)14-17/h3-6,17H,7-8H2,1-2H3,(H2,13,14)
InChIKeyYAHRBMGLNCOQRY-UHFFFAOYSA-N
XLogP1.09
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 3-amino-3-hydroxyimino-N-methyl-N-[(2-methylphenyl)methyl]propanamide 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

3-[methyl-[(2-methylphenyl)methyl]amino]-3-oxopropanoic acid
CID 62231590
2-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 16769161
3-amino-3-hydroxyimino-N-[2-(2-methylphenyl)ethyl]propanamide
CID 79756212
3-chloro-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 43578823
N'-hydroxy-2-(2-methylphenyl)ethanimidamide
CID 6001694
1,3-dimethyl-1-[(2-methylphenyl)methyl]urea
CID 23563161
4-amino-N,3,3-trimethyl-N-[(2-methylphenyl)methyl]butanamide
CID 115157383
N-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-[(2-methylphenyl)methyl]oxamide
CID 61411474
N-(2-aminoethyl)-N'-methyl-N'-[(2-methylphenyl)methyl]oxamide
CID 43575591
3-(tert-butylamino)-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 60849544
1-[(Z)-N'-hydroxycarbamimidoyl]-N,3-dimethyl-N-[(2-methylphenyl)methyl]cyclobutane-1-carboxamide
CID 80592201
5-chloro-N-methyl-N-[(2-methylphenyl)methyl]pentanamide
CID 43578825

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-hydroxyimino-N-methyl-N-[(2-methylphenyl)methyl]propanamide?
The IUPAC name of 3-amino-3-hydroxyimino-N-methyl-N-[(2-methylphenyl)methyl]propanamide (CID 55135540) is 3-amino-3-hydroxyimino-N-methyl-N-[(2-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-amino-3-hydroxyimino-N-methyl-N-[(2-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-amino-3-hydroxyimino-N-methyl-N-[(2-methylphenyl)methyl]propanamide is Cc1ccccc1CN(C)C(=O)CC(N)=NO.
What is the InChIKey of 3-amino-3-hydroxyimino-N-methyl-N-[(2-methylphenyl)methyl]propanamide?
The InChIKey is YAHRBMGLNCOQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-9-5-3-4-6-10(9)8-15(2)12(16)7-11(13)14-17/h3-6,17H,7-8H2,1-2H3,(H2,13,14).
What are the key properties of 3-amino-3-hydroxyimino-N-methyl-N-[(2-methylphenyl)methyl]propanamide?
3-amino-3-hydroxyimino-N-methyl-N-[(2-methylphenyl)methyl]propanamide has a molecular weight of 235.29 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-hydroxyimino-N-methyl-N-[(2-methylphenyl)methyl]propanamide is sourced from PubChem (CID 55135540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).