2-ethyl-N'-hydroxy-3-[(1R)-1-hydroxyethyl]benzenecarboximidamide

C11H16N2O2 — CID 173471641

IUPAC2-ethyl-N'-hydroxy-3-[(1R)-1-hydroxyethyl]benzenecarboximidamide
SMILESCCc1c(C(N)=NO)cccc1[C@@H](C)O
InChIInChI=1S/C11H16N2O2/c1-3-8-9(7(2)14)5-4-6-10(8)11(12)13-15/h4-7,14-15H,3H2,1-2H3,(H2,12,13)/t7-/m1/s1
InChIKeyXKVSJAUWYJWNMM-SSDOTTSWSA-N
MW208.26 g/mol
LogP1.40
Rot. Bonds3

About 2-ethyl-N'-hydroxy-3-[(1R)-1-hydroxyethyl]benzenecarboximidamide

2-ethyl-N'-hydroxy-3-[(1R)-1-hydroxyethyl]benzenecarboximidamide (PubChem CID 173471641) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-ethyl-N'-hydroxy-3-[(1R)-1-hydroxyethyl]benzenecarboximidamide.

Molecular Properties

Compound Name2-ethyl-N'-hydroxy-3-[(1R)-1-hydroxyethyl]benzenecarboximidamide
PubChem CID173471641
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-ethyl-N'-hydroxy-3-[(1R)-1-hydroxyethyl]benzenecarboximidamide
SMILESCCc1c(C(N)=NO)cccc1[C@@H](C)O
InChIInChI=1S/C11H16N2O2/c1-3-8-9(7(2)14)5-4-6-10(8)11(12)13-15/h4-7,14-15H,3H2,1-2H3,(H2,12,13)/t7-/m1/s1
InChIKeyXKVSJAUWYJWNMM-SSDOTTSWSA-N
XLogP1.40
TPSA78.84 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.40
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N'-hydroxy-3-[(1R)-1-hydroxyethyl]benzenecarboximidamide?
The IUPAC name of 2-ethyl-N'-hydroxy-3-[(1R)-1-hydroxyethyl]benzenecarboximidamide (CID 173471641) is 2-ethyl-N'-hydroxy-3-[(1R)-1-hydroxyethyl]benzenecarboximidamide.
What is the SMILES notation for 2-ethyl-N'-hydroxy-3-[(1R)-1-hydroxyethyl]benzenecarboximidamide?
The canonical SMILES for 2-ethyl-N'-hydroxy-3-[(1R)-1-hydroxyethyl]benzenecarboximidamide is CCc1c(C(N)=NO)cccc1[C@@H](C)O.
What is the InChIKey of 2-ethyl-N'-hydroxy-3-[(1R)-1-hydroxyethyl]benzenecarboximidamide?
The InChIKey is XKVSJAUWYJWNMM-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-3-8-9(7(2)14)5-4-6-10(8)11(12)13-15/h4-7,14-15H,3H2,1-2H3,(H2,12,13)/t7-/m1/s1.
What are the key properties of 2-ethyl-N'-hydroxy-3-[(1R)-1-hydroxyethyl]benzenecarboximidamide?
2-ethyl-N'-hydroxy-3-[(1R)-1-hydroxyethyl]benzenecarboximidamide has a molecular weight of 208.26 g/mol, XLogP of 1.40, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N'-hydroxy-3-[(1R)-1-hydroxyethyl]benzenecarboximidamide is sourced from PubChem (CID 173471641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).