4-[5-(2,3-dimethoxyphenoxy)pentoxy]benzenecarboximidamide

C20H26N2O4 — CID 19794906

IUPAC4-[5-(2,3-dimethoxyphenoxy)pentoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCCCCOc2cccc(OC)c2OC)cc1
InChIInChI=1S/C20H26N2O4/c1-23-17-7-6-8-18(19(17)24-2)26-14-5-3-4-13-25-16-11-9-15(10-12-16)20(21)22/h6-12H,3-5,13-14H2,1-2H3,(H3,21,22)
InChIKeyMUHANERWINVQLY-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.62
Rot. Bonds11

About 4-[5-(2,3-dimethoxyphenoxy)pentoxy]benzenecarboximidamide

4-[5-(2,3-dimethoxyphenoxy)pentoxy]benzenecarboximidamide (PubChem CID 19794906) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is 4-[5-(2,3-dimethoxyphenoxy)pentoxy]benzenecarboximidamide.

Molecular Properties

Compound Name4-[5-(2,3-dimethoxyphenoxy)pentoxy]benzenecarboximidamide
PubChem CID19794906
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name4-[5-(2,3-dimethoxyphenoxy)pentoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCCCCOc2cccc(OC)c2OC)cc1
InChIInChI=1S/C20H26N2O4/c1-23-17-7-6-8-18(19(17)24-2)26-14-5-3-4-13-25-16-11-9-15(10-12-16)20(21)22/h6-12H,3-5,13-14H2,1-2H3,(H3,21,22)
InChIKeyMUHANERWINVQLY-UHFFFAOYSA-N
XLogP3.62
TPSA86.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

4-[2-(2-methoxyphenoxy)ethoxy]benzenecarboximidamide
CID 61300207
4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;dihydrochloride
CID 10431865
4-[8-(4-carbamimidoylphenoxy)octoxy]benzenecarboximidamide;methane
CID 158584747
4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;platinum(2+);diiodide
CID 10056078
4-octoxybenzenecarboximidamide
CID 3302492
4-[5-(4-methylphenoxy)pentoxy]benzenecarboximidamide
CID 143436452
4-[5-(2-phenylmethoxyphenoxy)pentoxy]benzenecarboximidamide
CID 19794887
4-[2-(2,3-dimethylphenoxy)ethoxy]benzenecarboximidamide
CID 61299043
4-[2-(3-methoxyphenoxy)ethoxy]benzenecarboximidamide
CID 61299239
4-butoxybenzenecarboximidamide
CID 3015454
4-[3-(4-carbamimidoylphenoxy)propoxy]benzenecarboximidamide;hydrochloride
CID 44573593
methanesulfonic acid;4-[5-(2-methoxyphenyl)sulfanylpentoxy]benzenecarboximidamide
CID 19794921

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2,3-dimethoxyphenoxy)pentoxy]benzenecarboximidamide?
The IUPAC name of 4-[5-(2,3-dimethoxyphenoxy)pentoxy]benzenecarboximidamide (CID 19794906) is 4-[5-(2,3-dimethoxyphenoxy)pentoxy]benzenecarboximidamide.
What is the SMILES notation for 4-[5-(2,3-dimethoxyphenoxy)pentoxy]benzenecarboximidamide?
The canonical SMILES for 4-[5-(2,3-dimethoxyphenoxy)pentoxy]benzenecarboximidamide is [H]/N=C(\N)c1ccc(OCCCCCOc2cccc(OC)c2OC)cc1.
What is the InChIKey of 4-[5-(2,3-dimethoxyphenoxy)pentoxy]benzenecarboximidamide?
The InChIKey is MUHANERWINVQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-23-17-7-6-8-18(19(17)24-2)26-14-5-3-4-13-25-16-11-9-15(10-12-16)20(21)22/h6-12H,3-5,13-14H2,1-2H3,(H3,21,22).
What are the key properties of 4-[5-(2,3-dimethoxyphenoxy)pentoxy]benzenecarboximidamide?
4-[5-(2,3-dimethoxyphenoxy)pentoxy]benzenecarboximidamide has a molecular weight of 358.44 g/mol, XLogP of 3.62, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2,3-dimethoxyphenoxy)pentoxy]benzenecarboximidamide is sourced from PubChem (CID 19794906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).