4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-ethoxybenzenecarboximidamide

C16H24N2O3 — CID 116522043

IUPAC4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-ethoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCC2CCC(C)(C)O2)c(OCC)c1
InChIInChI=1S/C16H24N2O3/c1-4-19-14-9-11(15(17)18)5-6-13(14)20-10-12-7-8-16(2,3)21-12/h5-6,9,12H,4,7-8,10H2,1-3H3,(H3,17,18)
InChIKeyKZLGMUINDJGRBP-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.71
Rot. Bonds6

About 4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-ethoxybenzenecarboximidamide

4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-ethoxybenzenecarboximidamide (PubChem CID 116522043) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-ethoxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-ethoxybenzenecarboximidamide
PubChem CID116522043
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-ethoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCC2CCC(C)(C)O2)c(OCC)c1
InChIInChI=1S/C16H24N2O3/c1-4-19-14-9-11(15(17)18)5-6-13(14)20-10-12-7-8-16(2,3)21-12/h5-6,9,12H,4,7-8,10H2,1-3H3,(H3,17,18)
InChIKeyKZLGMUINDJGRBP-UHFFFAOYSA-N
XLogP2.71
TPSA77.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.71
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

3-ethoxy-4-[(5-methyloxolan-2-yl)methoxy]benzenecarboximidamide
CID 103134728
4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-ethoxybenzonitrile
CID 116521824
1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-methoxyphenyl]ethanone
CID 116521891
2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methylaniline
CID 116520626
5-[[5-(chloromethyl)-2-methoxyphenoxy]methyl]-2,2-dimethyloxolane
CID 116522351
1-[3-[(5,5-dimethyloxolan-2-yl)methoxy]-4-methoxyphenyl]propan-2-amine
CID 116523105
1-[5-bromo-2-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]ethanamine
CID 116520805
(1R)-1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-methoxyphenyl]ethanol
CID 104889574
1-[5-chloro-2-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]ethanamine
CID 116520800
4-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzenecarboximidamide
CID 102898340
(1R)-1-[4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-methoxyphenyl]ethanamine
CID 104889481
4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-methoxybenzonitrile
CID 116521820

Frequently Asked Questions

What is the IUPAC name of 4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-ethoxybenzenecarboximidamide?
The IUPAC name of 4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-ethoxybenzenecarboximidamide (CID 116522043) is 4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-ethoxybenzenecarboximidamide.
What is the SMILES notation for 4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-ethoxybenzenecarboximidamide?
The canonical SMILES for 4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-ethoxybenzenecarboximidamide is [H]/N=C(\N)c1ccc(OCC2CCC(C)(C)O2)c(OCC)c1.
What is the InChIKey of 4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-ethoxybenzenecarboximidamide?
The InChIKey is KZLGMUINDJGRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-19-14-9-11(15(17)18)5-6-13(14)20-10-12-7-8-16(2,3)21-12/h5-6,9,12H,4,7-8,10H2,1-3H3,(H3,17,18).
What are the key properties of 4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-ethoxybenzenecarboximidamide?
4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-ethoxybenzenecarboximidamide has a molecular weight of 292.38 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5,5-dimethyloxolan-2-yl)methoxy]-3-ethoxybenzenecarboximidamide is sourced from PubChem (CID 116522043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).