N'-hydroxy-3-[2-(2-methoxyethyl)anilino]-2-methylpropanimidamide

C13H21N3O2 — CID 102906431

IUPACN'-hydroxy-3-[2-(2-methoxyethyl)anilino]-2-methylpropanimidamide
SMILESCOCCc1ccccc1NCC(C)/C(N)=N/O
InChIInChI=1S/C13H21N3O2/c1-10(13(14)16-17)9-15-12-6-4-3-5-11(12)7-8-18-2/h3-6,10,15,17H,7-9H2,1-2H3,(H2,14,16)
InChIKeyLKYXPDFNOBUFMA-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.67
Rot. Bonds7

About N'-hydroxy-3-[2-(2-methoxyethyl)anilino]-2-methylpropanimidamide

N'-hydroxy-3-[2-(2-methoxyethyl)anilino]-2-methylpropanimidamide (PubChem CID 102906431) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N'-hydroxy-3-[2-(2-methoxyethyl)anilino]-2-methylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[2-(2-methoxyethyl)anilino]-2-methylpropanimidamide
PubChem CID102906431
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN'-hydroxy-3-[2-(2-methoxyethyl)anilino]-2-methylpropanimidamide
SMILESCOCCc1ccccc1NCC(C)/C(N)=N/O
InChIInChI=1S/C13H21N3O2/c1-10(13(14)16-17)9-15-12-6-4-3-5-11(12)7-8-18-2/h3-6,10,15,17H,7-9H2,1-2H3,(H2,14,16)
InChIKeyLKYXPDFNOBUFMA-UHFFFAOYSA-N
XLogP1.67
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.67
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'-hydroxy-3-[2-(2-methoxyethyl)anilino]-2-methylpropanimidamide 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

3,3,3-trifluoro-N'-hydroxy-2-[[2-(2-methoxyethyl)anilino]methyl]propanimidamide
CID 103370255
3-[2-(2-methoxyethyl)anilino]-2-methylpropanoic acid
CID 102905114
N-(2,2-dimethoxyethyl)-2-(2-methoxyethyl)aniline
CID 102903791
1-[2-(2-methoxyethyl)anilino]-2,3-dimethylbutan-2-ol
CID 102905135
2-(2-methoxyethyl)-N-propan-2-ylaniline
CID 102847364
methyl 3-[2-(2-methoxyethyl)anilino]-2-methylbutanoate
CID 102905002
N-[2-(2-methoxyethyl)phenyl]-2-methylpropanamide
CID 18982774
1-butoxy-3-[2-(2-methoxyethyl)anilino]propan-2-ol
CID 107263153
3-[2-(2-methoxyethyl)anilino]propan-1-ol
CID 102847222
2-(2-methoxyethyl)-N-(3-methylpentan-2-yl)aniline
CID 102848997
(2R)-2-amino-N-[2-(2-methoxyethyl)phenyl]-3-methylbutanamide
CID 102905806
N-(4-methoxybutan-2-yl)-2-(2-methoxyethyl)aniline
CID 102849074

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[2-(2-methoxyethyl)anilino]-2-methylpropanimidamide?
The IUPAC name of N'-hydroxy-3-[2-(2-methoxyethyl)anilino]-2-methylpropanimidamide (CID 102906431) is N'-hydroxy-3-[2-(2-methoxyethyl)anilino]-2-methylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-[2-(2-methoxyethyl)anilino]-2-methylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-[2-(2-methoxyethyl)anilino]-2-methylpropanimidamide is COCCc1ccccc1NCC(C)/C(N)=N/O.
What is the InChIKey of N'-hydroxy-3-[2-(2-methoxyethyl)anilino]-2-methylpropanimidamide?
The InChIKey is LKYXPDFNOBUFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10(13(14)16-17)9-15-12-6-4-3-5-11(12)7-8-18-2/h3-6,10,15,17H,7-9H2,1-2H3,(H2,14,16).
What are the key properties of N'-hydroxy-3-[2-(2-methoxyethyl)anilino]-2-methylpropanimidamide?
N'-hydroxy-3-[2-(2-methoxyethyl)anilino]-2-methylpropanimidamide has a molecular weight of 251.33 g/mol, XLogP of 1.67, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[2-(2-methoxyethyl)anilino]-2-methylpropanimidamide is sourced from PubChem (CID 102906431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).