3-ethoxy-4-[(5-methyloxolan-2-yl)methoxy]benzenecarboximidamide

C15H22N2O3 — CID 103134728

IUPAC3-ethoxy-4-[(5-methyloxolan-2-yl)methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCC2CCC(C)O2)c(OCC)c1
InChIInChI=1S/C15H22N2O3/c1-3-18-14-8-11(15(16)17)5-7-13(14)19-9-12-6-4-10(2)20-12/h5,7-8,10,12H,3-4,6,9H2,1-2H3,(H3,16,17)
InChIKeyKSMUOISNVLTGRV-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.32
Rot. Bonds6

About 3-ethoxy-4-[(5-methyloxolan-2-yl)methoxy]benzenecarboximidamide

3-ethoxy-4-[(5-methyloxolan-2-yl)methoxy]benzenecarboximidamide (PubChem CID 103134728) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-ethoxy-4-[(5-methyloxolan-2-yl)methoxy]benzenecarboximidamide.

Molecular Properties

Compound Name3-ethoxy-4-[(5-methyloxolan-2-yl)methoxy]benzenecarboximidamide
PubChem CID103134728
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-ethoxy-4-[(5-methyloxolan-2-yl)methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCC2CCC(C)O2)c(OCC)c1
InChIInChI=1S/C15H22N2O3/c1-3-18-14-8-11(15(16)17)5-7-13(14)19-9-12-6-4-10(2)20-12/h5,7-8,10,12H,3-4,6,9H2,1-2H3,(H3,16,17)
InChIKeyKSMUOISNVLTGRV-UHFFFAOYSA-N
XLogP2.32
TPSA77.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-ethoxybenzenecarboximidamide
CID 116522043
(5-methyloxolan-2-yl)methyl 3-amino-4-ethoxybenzoate
CID 103136966
4-(cyclohexylmethoxy)-3-fluorobenzenecarboximidamide
CID 62383562
3-bromo-4-(oxolan-3-ylmethoxy)benzenecarboximidamide
CID 82799234
4-[(5-methyloxolan-2-yl)methoxy]-3-sulfamoylbenzoic acid
CID 103135622
4-[(4-ethylmorpholin-2-yl)methoxy]-3-fluorobenzenecarboximidamide
CID 107666488
3-fluoro-4-[(5-methyloxolan-2-yl)methoxy]aniline
CID 103132575
4-[(5-methyloxolan-2-yl)methoxy]-3-prop-2-enylaniline
CID 103132623
2-(cyclopentylmethoxy)-5-methylbenzenecarboximidamide
CID 107930853
2-(3,4-diethoxyphenyl)ethanimidamide
CID 4071975
4-methyl-3-[(5-methyloxolan-2-yl)methoxy]aniline
CID 103132582
3-methoxy-4-propoxybenzenecarboximidamide
CID 24709016

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-[(5-methyloxolan-2-yl)methoxy]benzenecarboximidamide?
The IUPAC name of 3-ethoxy-4-[(5-methyloxolan-2-yl)methoxy]benzenecarboximidamide (CID 103134728) is 3-ethoxy-4-[(5-methyloxolan-2-yl)methoxy]benzenecarboximidamide.
What is the SMILES notation for 3-ethoxy-4-[(5-methyloxolan-2-yl)methoxy]benzenecarboximidamide?
The canonical SMILES for 3-ethoxy-4-[(5-methyloxolan-2-yl)methoxy]benzenecarboximidamide is [H]/N=C(\N)c1ccc(OCC2CCC(C)O2)c(OCC)c1.
What is the InChIKey of 3-ethoxy-4-[(5-methyloxolan-2-yl)methoxy]benzenecarboximidamide?
The InChIKey is KSMUOISNVLTGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-18-14-8-11(15(16)17)5-7-13(14)19-9-12-6-4-10(2)20-12/h5,7-8,10,12H,3-4,6,9H2,1-2H3,(H3,16,17).
What are the key properties of 3-ethoxy-4-[(5-methyloxolan-2-yl)methoxy]benzenecarboximidamide?
3-ethoxy-4-[(5-methyloxolan-2-yl)methoxy]benzenecarboximidamide has a molecular weight of 278.35 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-[(5-methyloxolan-2-yl)methoxy]benzenecarboximidamide is sourced from PubChem (CID 103134728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).