4-[10-[4-(2-hydroxyethyl)phenoxy]decoxy]benzenecarboximidamide

C25H36N2O3 — CID 142589404

IUPAC4-[10-[4-(2-hydroxyethyl)phenoxy]decoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCCCCCCCCCOc2ccc(CCO)cc2)cc1
InChIInChI=1S/C25H36N2O3/c26-25(27)22-11-15-24(16-12-22)30-20-8-6-4-2-1-3-5-7-19-29-23-13-9-21(10-14-23)17-18-28/h9-16,28H,1-8,17-20H2,(H3,26,27)
InChIKeyHAGQDEMSXHJIAU-UHFFFAOYSA-N
MW412.57 g/mol
LogP5.08
Rot. Bonds16

About 4-[10-[4-(2-hydroxyethyl)phenoxy]decoxy]benzenecarboximidamide

4-[10-[4-(2-hydroxyethyl)phenoxy]decoxy]benzenecarboximidamide (PubChem CID 142589404) has the molecular formula C25H36N2O3 and a molecular weight of 412.57 g/mol. Its IUPAC name is 4-[10-[4-(2-hydroxyethyl)phenoxy]decoxy]benzenecarboximidamide.

Molecular Properties

Compound Name4-[10-[4-(2-hydroxyethyl)phenoxy]decoxy]benzenecarboximidamide
PubChem CID142589404
Molecular FormulaC25H36N2O3
Molecular Weight412.57 g/mol
Exact Mass412.27
IUPAC Name4-[10-[4-(2-hydroxyethyl)phenoxy]decoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCCCCCCCCCOc2ccc(CCO)cc2)cc1
InChIInChI=1S/C25H36N2O3/c26-25(27)22-11-15-24(16-12-22)30-20-8-6-4-2-1-3-5-7-19-29-23-13-9-21(10-14-23)17-18-28/h9-16,28H,1-8,17-20H2,(H3,26,27)
InChIKeyHAGQDEMSXHJIAU-UHFFFAOYSA-N
XLogP5.08
TPSA88.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.57
LogP ≤ 55.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[8-(4-carbamimidoylphenoxy)octoxy]benzenecarboximidamide;methane
CID 158584747
4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;dihydrochloride
CID 10431865
4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107709008
4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;platinum(2+);diiodide
CID 10056078
4-[3-(4-carbamimidoylphenoxy)propoxy]benzenecarboximidamide;hydrochloride
CID 44573593
4-[5-(4-methylphenoxy)pentoxy]benzenecarboximidamide
CID 143436452
[amino-[4-[5-(4-carbamimidoylphenoxy)pentoxy]phenyl]methylidene]azanium
CID 24848374
4-octoxybenzenecarboximidamide
CID 3302492
[amino-[4-[10-[4-(2-hydroxyethyl)phenoxy]decoxy]phenyl]methylidene]azanium chloride
CID 142589403
4-butoxybenzenecarboximidamide
CID 3015454
4-[5-[4-(diaminomethyl)phenoxy]pentoxy]benzenecarboximidamide
CID 146331992
molecular hydrogen;4-[6-(4-prop-1-en-2-ylphenoxy)hexoxy]benzenecarboximidamide
CID 158279595

Frequently Asked Questions

What is the IUPAC name of 4-[10-[4-(2-hydroxyethyl)phenoxy]decoxy]benzenecarboximidamide?
The IUPAC name of 4-[10-[4-(2-hydroxyethyl)phenoxy]decoxy]benzenecarboximidamide (CID 142589404) is 4-[10-[4-(2-hydroxyethyl)phenoxy]decoxy]benzenecarboximidamide.
What is the SMILES notation for 4-[10-[4-(2-hydroxyethyl)phenoxy]decoxy]benzenecarboximidamide?
The canonical SMILES for 4-[10-[4-(2-hydroxyethyl)phenoxy]decoxy]benzenecarboximidamide is [H]/N=C(\N)c1ccc(OCCCCCCCCCCOc2ccc(CCO)cc2)cc1.
What is the InChIKey of 4-[10-[4-(2-hydroxyethyl)phenoxy]decoxy]benzenecarboximidamide?
The InChIKey is HAGQDEMSXHJIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O3/c26-25(27)22-11-15-24(16-12-22)30-20-8-6-4-2-1-3-5-7-19-29-23-13-9-21(10-14-23)17-18-28/h9-16,28H,1-8,17-20H2,(H3,26,27).
What are the key properties of 4-[10-[4-(2-hydroxyethyl)phenoxy]decoxy]benzenecarboximidamide?
4-[10-[4-(2-hydroxyethyl)phenoxy]decoxy]benzenecarboximidamide has a molecular weight of 412.57 g/mol, XLogP of 5.08, 16 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[10-[4-(2-hydroxyethyl)phenoxy]decoxy]benzenecarboximidamide is sourced from PubChem (CID 142589404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).