N'-hydroxy-3-methyl-4-(4-methylpentoxymethyl)benzenecarboximidamide

C15H24N2O2 — CID 114483258

IUPACN'-hydroxy-3-methyl-4-(4-methylpentoxymethyl)benzenecarboximidamide
SMILESCc1cc(/C(N)=N/O)ccc1COCCCC(C)C
InChIInChI=1S/C15H24N2O2/c1-11(2)5-4-8-19-10-14-7-6-13(9-12(14)3)15(16)17-18/h6-7,9,11,18H,4-5,8,10H2,1-3H3,(H2,16,17)
InChIKeyBRNHGTWKJSOWAE-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.04
Rot. Bonds7

About N'-hydroxy-3-methyl-4-(4-methylpentoxymethyl)benzenecarboximidamide

N'-hydroxy-3-methyl-4-(4-methylpentoxymethyl)benzenecarboximidamide (PubChem CID 114483258) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N'-hydroxy-3-methyl-4-(4-methylpentoxymethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-methyl-4-(4-methylpentoxymethyl)benzenecarboximidamide
PubChem CID114483258
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN'-hydroxy-3-methyl-4-(4-methylpentoxymethyl)benzenecarboximidamide
SMILESCc1cc(/C(N)=N/O)ccc1COCCCC(C)C
InChIInChI=1S/C15H24N2O2/c1-11(2)5-4-8-19-10-14-7-6-13(9-12(14)3)15(16)17-18/h6-7,9,11,18H,4-5,8,10H2,1-3H3,(H2,16,17)
InChIKeyBRNHGTWKJSOWAE-UHFFFAOYSA-N
XLogP3.04
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-3-methyl-4-(propoxymethyl)benzenecarboximidamide
CID 114483267
N'-hydroxy-3-methyl-4-(4-methylpentan-2-yloxymethyl)benzenecarboximidamide
CID 114483234
N'-hydroxy-2-(4-methylpentoxymethyl)benzenecarboximidamide
CID 43128393
N'-hydroxy-3-methyl-4-(1,1,1-trifluoropropan-2-yloxymethyl)benzenecarboximidamide
CID 114483312
4-[(2-fluorophenyl)methoxymethyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114483296
N'-hydroxy-3-methyl-4-[[2-methylpropyl(propan-2-yl)amino]methyl]benzenecarboximidamide
CID 114482556
4-[(3,5-dimethylphenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114483204
N'-hydroxy-3-methyl-4-(oxolan-3-yloxymethyl)benzenecarboximidamide
CID 114483290
N'-hydroxy-3-methyl-4-[(2-methylcyclohexyl)oxymethyl]benzenecarboximidamide
CID 114483225
4-[(3-ethoxypropylamino)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114482681
4-[(4-chlorophenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114483201
N'-hydroxy-4-[(3-methoxycyclohexyl)oxymethyl]-3-methylbenzenecarboximidamide
CID 114483299

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-methyl-4-(4-methylpentoxymethyl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-methyl-4-(4-methylpentoxymethyl)benzenecarboximidamide (CID 114483258) is N'-hydroxy-3-methyl-4-(4-methylpentoxymethyl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-methyl-4-(4-methylpentoxymethyl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-methyl-4-(4-methylpentoxymethyl)benzenecarboximidamide is Cc1cc(/C(N)=N/O)ccc1COCCCC(C)C.
What is the InChIKey of N'-hydroxy-3-methyl-4-(4-methylpentoxymethyl)benzenecarboximidamide?
The InChIKey is BRNHGTWKJSOWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(2)5-4-8-19-10-14-7-6-13(9-12(14)3)15(16)17-18/h6-7,9,11,18H,4-5,8,10H2,1-3H3,(H2,16,17).
What are the key properties of N'-hydroxy-3-methyl-4-(4-methylpentoxymethyl)benzenecarboximidamide?
N'-hydroxy-3-methyl-4-(4-methylpentoxymethyl)benzenecarboximidamide has a molecular weight of 264.37 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-methyl-4-(4-methylpentoxymethyl)benzenecarboximidamide is sourced from PubChem (CID 114483258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).