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

C14H22N2O3 — CID 107109715

IUPAC2-(2-butoxyethoxy)-N'-hydroxy-3-methylbenzenecarboximidamide
SMILESCCCCOCCOc1c(C)cccc1/C(N)=N/O
InChIInChI=1S/C14H22N2O3/c1-3-4-8-18-9-10-19-13-11(2)6-5-7-12(13)14(15)16-17/h5-7,17H,3-4,8-10H2,1-2H3,(H2,15,16)
InChIKeyXNPKSXPGRDYJHK-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.29
Rot. Bonds8

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

2-(2-butoxyethoxy)-N'-hydroxy-3-methylbenzenecarboximidamide (PubChem CID 107109715) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(2-butoxyethoxy)-N'-hydroxy-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-(2-butoxyethoxy)-N'-hydroxy-3-methylbenzenecarboximidamide
PubChem CID107109715
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-(2-butoxyethoxy)-N'-hydroxy-3-methylbenzenecarboximidamide
SMILESCCCCOCCOc1c(C)cccc1/C(N)=N/O
InChIInChI=1S/C14H22N2O3/c1-3-4-8-18-9-10-19-13-11(2)6-5-7-12(13)14(15)16-17/h5-7,17H,3-4,8-10H2,1-2H3,(H2,15,16)
InChIKeyXNPKSXPGRDYJHK-UHFFFAOYSA-N
XLogP2.29
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-(cyclopropylmethoxy)-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109701
N'-hydroxy-2-methoxy-3-methylbenzenecarboximidamide
CID 88561585
N'-hydroxy-4-(2-pentoxyethoxy)benzenecarboximidamide
CID 61299054
2-butoxy-3-methylbenzenecarboximidamide
CID 107110644
2-bromo-6-(2-butoxyethoxy)-N'-hydroxybenzenecarboximidamide
CID 114883463
N'-hydroxy-3-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenecarboximidamide
CID 107109654
2-[(2-fluorophenyl)methoxy]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109832
N'-hydroxy-3-methyl-2-(oxolan-2-ylmethoxy)benzenecarboximidamide
CID 107109641
2-(2,6-dimethylphenoxy)-N'-hydroxybenzenecarboximidamide
CID 43200038
3-(2-butoxyethoxymethyl)-N'-hydroxybenzenecarboximidamide
CID 43128365
N'-hydroxy-2-[4-(hydroxymethyl)phenoxy]-3-methylbenzenecarboximidamide
CID 107109785
2-butylsulfanyl-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107110916

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyethoxy)-N'-hydroxy-3-methylbenzenecarboximidamide?
The IUPAC name of 2-(2-butoxyethoxy)-N'-hydroxy-3-methylbenzenecarboximidamide (CID 107109715) is 2-(2-butoxyethoxy)-N'-hydroxy-3-methylbenzenecarboximidamide.
What is the SMILES notation for 2-(2-butoxyethoxy)-N'-hydroxy-3-methylbenzenecarboximidamide?
The canonical SMILES for 2-(2-butoxyethoxy)-N'-hydroxy-3-methylbenzenecarboximidamide is CCCCOCCOc1c(C)cccc1/C(N)=N/O.
What is the InChIKey of 2-(2-butoxyethoxy)-N'-hydroxy-3-methylbenzenecarboximidamide?
The InChIKey is XNPKSXPGRDYJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-3-4-8-18-9-10-19-13-11(2)6-5-7-12(13)14(15)16-17/h5-7,17H,3-4,8-10H2,1-2H3,(H2,15,16).
What are the key properties of 2-(2-butoxyethoxy)-N'-hydroxy-3-methylbenzenecarboximidamide?
2-(2-butoxyethoxy)-N'-hydroxy-3-methylbenzenecarboximidamide has a molecular weight of 266.34 g/mol, XLogP of 2.29, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyethoxy)-N'-hydroxy-3-methylbenzenecarboximidamide is sourced from PubChem (CID 107109715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).