4-methoxy-2-octan-2-yloxybenzenecarboximidamide

C16H26N2O2 — CID 81303227

IUPAC4-methoxy-2-octan-2-yloxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC)cc1OC(C)CCCCCC
InChIInChI=1S/C16H26N2O2/c1-4-5-6-7-8-12(2)20-15-11-13(19-3)9-10-14(15)16(17)18/h9-12H,4-8H2,1-3H3,(H3,17,18)
InChIKeyVDIDBNMMAVGWPS-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.72
Rot. Bonds9

About 4-methoxy-2-octan-2-yloxybenzenecarboximidamide

4-methoxy-2-octan-2-yloxybenzenecarboximidamide (PubChem CID 81303227) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-methoxy-2-octan-2-yloxybenzenecarboximidamide.

Molecular Properties

Compound Name4-methoxy-2-octan-2-yloxybenzenecarboximidamide
PubChem CID81303227
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name4-methoxy-2-octan-2-yloxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC)cc1OC(C)CCCCCC
InChIInChI=1S/C16H26N2O2/c1-4-5-6-7-8-12(2)20-15-11-13(19-3)9-10-14(15)16(17)18/h9-12H,4-8H2,1-3H3,(H3,17,18)
InChIKeyVDIDBNMMAVGWPS-UHFFFAOYSA-N
XLogP3.72
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.72
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'}

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Related Compounds

2-butoxy-4-methoxybenzenecarboximidamide
CID 81302951
2,4-dimethoxybenzenecarboximidamide
CID 4138242
4-methoxy-2-propoxybenzenecarboximidamide;hydrochloride
CID 21250754
4-methoxy-2-[pentyl(propan-2-yl)amino]benzenecarboximidamide
CID 81303776
2-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxybenzenecarboximidamide
CID 115505583
4-methoxy-2-[(4-methoxyphenyl)methoxy]benzenecarboximidamide
CID 81300051
2-butan-2-yloxy-4-chlorobenzenecarboximidamide
CID 63094735
4-methoxy-2-(oxan-4-yloxy)benzenecarboximidamide
CID 81302635
2-[butyl(methyl)amino]-4-methoxybenzenecarboximidamide
CID 81303854
4-methoxy-2-(4-methylphenoxy)benzenecarboximidamide
CID 81302853
2-ethylsulfanyl-4-methoxybenzenecarboximidamide
CID 81303342
2-bromo-4-octoxybenzenecarboximidamide
CID 107279553

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-octan-2-yloxybenzenecarboximidamide?
The IUPAC name of 4-methoxy-2-octan-2-yloxybenzenecarboximidamide (CID 81303227) is 4-methoxy-2-octan-2-yloxybenzenecarboximidamide.
What is the SMILES notation for 4-methoxy-2-octan-2-yloxybenzenecarboximidamide?
The canonical SMILES for 4-methoxy-2-octan-2-yloxybenzenecarboximidamide is [H]/N=C(\N)c1ccc(OC)cc1OC(C)CCCCCC.
What is the InChIKey of 4-methoxy-2-octan-2-yloxybenzenecarboximidamide?
The InChIKey is VDIDBNMMAVGWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-5-6-7-8-12(2)20-15-11-13(19-3)9-10-14(15)16(17)18/h9-12H,4-8H2,1-3H3,(H3,17,18).
What are the key properties of 4-methoxy-2-octan-2-yloxybenzenecarboximidamide?
4-methoxy-2-octan-2-yloxybenzenecarboximidamide has a molecular weight of 278.40 g/mol, XLogP of 3.72, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-octan-2-yloxybenzenecarboximidamide is sourced from PubChem (CID 81303227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).