2-(cyclopropylmethoxy)-N'-hydroxy-3-methylbenzenecarboximidamide

C12H16N2O2 — CID 107109701

IUPAC2-(cyclopropylmethoxy)-N'-hydroxy-3-methylbenzenecarboximidamide
SMILESCc1cccc(/C(N)=N/O)c1OCC1CC1
InChIInChI=1S/C12H16N2O2/c1-8-3-2-4-10(12(13)14-15)11(8)16-7-9-5-6-9/h2-4,9,15H,5-7H2,1H3,(H2,13,14)
InChIKeyIOGPEIFNCRXZGH-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.88
Rot. Bonds4

About 2-(cyclopropylmethoxy)-N'-hydroxy-3-methylbenzenecarboximidamide

2-(cyclopropylmethoxy)-N'-hydroxy-3-methylbenzenecarboximidamide (PubChem CID 107109701) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-N'-hydroxy-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-N'-hydroxy-3-methylbenzenecarboximidamide
PubChem CID107109701
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-(cyclopropylmethoxy)-N'-hydroxy-3-methylbenzenecarboximidamide
SMILESCc1cccc(/C(N)=N/O)c1OCC1CC1
InChIInChI=1S/C12H16N2O2/c1-8-3-2-4-10(12(13)14-15)11(8)16-7-9-5-6-9/h2-4,9,15H,5-7H2,1H3,(H2,13,14)
InChIKeyIOGPEIFNCRXZGH-UHFFFAOYSA-N
XLogP1.88
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.88
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 2-(cyclopropylmethoxy)-N'-hydroxy-3-methylbenzenecarboximidamide 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'-hydroxy-3-methyl-2-(oxolan-2-ylmethoxy)benzenecarboximidamide
CID 107109641
N'-hydroxy-2-methoxy-3-methylbenzenecarboximidamide
CID 88561585
2-(2-butoxyethoxy)-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109715
2-(cyclopropylmethoxy)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76939071
2-[(2-fluorophenyl)methoxy]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109832
4-(cyclobutylmethoxy)-N'-hydroxy-3,5-dimethylbenzenecarboximidamide
CID 77068953
2-(2,6-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 43200038
N'-hydroxy-3-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenecarboximidamide
CID 107109654
N'-hydroxy-2-[4-(hydroxymethyl)phenoxy]-3-methylbenzenecarboximidamide
CID 107109785
N'-hydroxy-3-methyl-2-(3,3,5-trimethylcyclohexyl)oxybenzenecarboximidamide
CID 107109717
2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109913
N'-hydroxy-3-methyl-2-[(6-methyl-3-pyridinyl)oxy]benzenecarboximidamide
CID 107109802

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-N'-hydroxy-3-methylbenzenecarboximidamide?
The IUPAC name of 2-(cyclopropylmethoxy)-N'-hydroxy-3-methylbenzenecarboximidamide (CID 107109701) is 2-(cyclopropylmethoxy)-N'-hydroxy-3-methylbenzenecarboximidamide.
What is the SMILES notation for 2-(cyclopropylmethoxy)-N'-hydroxy-3-methylbenzenecarboximidamide?
The canonical SMILES for 2-(cyclopropylmethoxy)-N'-hydroxy-3-methylbenzenecarboximidamide is Cc1cccc(/C(N)=N/O)c1OCC1CC1.
What is the InChIKey of 2-(cyclopropylmethoxy)-N'-hydroxy-3-methylbenzenecarboximidamide?
The InChIKey is IOGPEIFNCRXZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8-3-2-4-10(12(13)14-15)11(8)16-7-9-5-6-9/h2-4,9,15H,5-7H2,1H3,(H2,13,14).
What are the key properties of 2-(cyclopropylmethoxy)-N'-hydroxy-3-methylbenzenecarboximidamide?
2-(cyclopropylmethoxy)-N'-hydroxy-3-methylbenzenecarboximidamide has a molecular weight of 220.27 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-N'-hydroxy-3-methylbenzenecarboximidamide is sourced from PubChem (CID 107109701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).