N'-hydroxy-4-methyl-2-propoxybenzenecarboximidamide

C11H16N2O2 — CID 76938735

IUPACN'-hydroxy-4-methyl-2-propoxybenzenecarboximidamide
SMILESCCCOc1cc(C)ccc1C(N)=NO
InChIInChI=1S/C11H16N2O2/c1-3-6-15-10-7-8(2)4-5-9(10)11(12)13-14/h4-5,7,14H,3,6H2,1-2H3,(H2,12,13)
InChIKeyAMUYMPOXUKUJIV-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.88
Rot. Bonds4

About N'-hydroxy-4-methyl-2-propoxybenzenecarboximidamide

N'-hydroxy-4-methyl-2-propoxybenzenecarboximidamide (PubChem CID 76938735) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is N'-hydroxy-4-methyl-2-propoxybenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-methyl-2-propoxybenzenecarboximidamide
PubChem CID76938735
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC NameN'-hydroxy-4-methyl-2-propoxybenzenecarboximidamide
SMILESCCCOc1cc(C)ccc1C(N)=NO
InChIInChI=1S/C11H16N2O2/c1-3-6-15-10-7-8(2)4-5-9(10)11(12)13-14/h4-5,7,14H,3,6H2,1-2H3,(H2,12,13)
InChIKeyAMUYMPOXUKUJIV-UHFFFAOYSA-N
XLogP1.88
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
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'}

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Related Compounds

N'-hydroxy-4-methyl-2-octoxybenzenecarboximidamide
CID 76999670
2-butoxy-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930175
2-[2-[di(propan-2-yl)amino]ethoxy]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 115505551
2-(cyclopropylmethoxy)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76939071
N'-hydroxy-4-methyl-2-(4-methylphenoxy)benzenecarboximidamide
CID 55056871
2-(4-ethylphenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938935
4-methyl-2-propoxybenzenecarboximidamide;hydrochloride
CID 21250746
4-chloro-N'-hydroxy-2-(2-propoxyethoxy)benzenecarboximidamide
CID 55233057
N'-hydroxy-2-(2-propoxyphenoxy)benzenecarboximidamide
CID 43200019
2-(4-fluorophenoxy)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76939029
4-methyl-2-propoxyaniline
CID 24698653
N'-hydroxy-4-methyl-2-(oxolan-2-ylmethoxy)benzenecarboximidamide
CID 62308507

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-methyl-2-propoxybenzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-methyl-2-propoxybenzenecarboximidamide (CID 76938735) is N'-hydroxy-4-methyl-2-propoxybenzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-methyl-2-propoxybenzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-methyl-2-propoxybenzenecarboximidamide is CCCOc1cc(C)ccc1C(N)=NO.
What is the InChIKey of N'-hydroxy-4-methyl-2-propoxybenzenecarboximidamide?
The InChIKey is AMUYMPOXUKUJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-3-6-15-10-7-8(2)4-5-9(10)11(12)13-14/h4-5,7,14H,3,6H2,1-2H3,(H2,12,13).
What are the key properties of N'-hydroxy-4-methyl-2-propoxybenzenecarboximidamide?
N'-hydroxy-4-methyl-2-propoxybenzenecarboximidamide has a molecular weight of 208.26 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 N'-hydroxy-4-methyl-2-propoxybenzenecarboximidamide is sourced from PubChem (CID 76938735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).