4-[8-(4-carbamimidoylphenoxy)octoxy]benzenecarboximidamide;methane

C23H34N4O2 — CID 158584747

IUPAC4-[8-(4-carbamimidoylphenoxy)octoxy]benzenecarboximidamide;methane
SMILESC.[H]/N=C(\N)c1ccc(OCCCCCCCCOc2ccc(/C(N)=N/[H])cc2)cc1
InChIInChI=1S/C22H30N4O2.CH4/c23-21(24)17-7-11-19(12-8-17)27-15-5-3-1-2-4-6-16-28-20-13-9-18(10-14-20)22(25)26;/h7-14H,1-6,15-16H2,(H3,23,24)(H3,25,26);1H4
InChIKeyHTRNSPSPABCBLT-UHFFFAOYSA-N
MW398.55 g/mol
LogP4.69
Rot. Bonds13

About 4-[8-(4-carbamimidoylphenoxy)octoxy]benzenecarboximidamide;methane

4-[8-(4-carbamimidoylphenoxy)octoxy]benzenecarboximidamide;methane (PubChem CID 158584747) has the molecular formula C23H34N4O2 and a molecular weight of 398.55 g/mol. Its IUPAC name is 4-[8-(4-carbamimidoylphenoxy)octoxy]benzenecarboximidamide;methane.

Molecular Properties

Compound Name4-[8-(4-carbamimidoylphenoxy)octoxy]benzenecarboximidamide;methane
PubChem CID158584747
Molecular FormulaC23H34N4O2
Molecular Weight398.55 g/mol
Exact Mass398.27
IUPAC Name4-[8-(4-carbamimidoylphenoxy)octoxy]benzenecarboximidamide;methane
SMILESC.[H]/N=C(\N)c1ccc(OCCCCCCCCOc2ccc(/C(N)=N/[H])cc2)cc1
InChIInChI=1S/C22H30N4O2.CH4/c23-21(24)17-7-11-19(12-8-17)27-15-5-3-1-2-4-6-16-28-20-13-9-18(10-14-20)22(25)26;/h7-14H,1-6,15-16H2,(H3,23,24)(H3,25,26);1H4
InChIKeyHTRNSPSPABCBLT-UHFFFAOYSA-N
XLogP4.69
TPSA118.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 54.69
H-Bond Donors ≤ 54
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'}

Analyze 4-[8-(4-carbamimidoylphenoxy)octoxy]benzenecarboximidamide;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;dihydrochloride
CID 10431865
4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;platinum(2+);diiodide
CID 10056078
4-[3-(4-carbamimidoylphenoxy)propoxy]benzenecarboximidamide;hydrochloride
CID 44573593
[amino-[4-[5-(4-carbamimidoylphenoxy)pentoxy]phenyl]methylidene]azanium
CID 24848374
4-[5-(4-methylphenoxy)pentoxy]benzenecarboximidamide
CID 143436452
4-octoxybenzenecarboximidamide
CID 3302492
4-butoxybenzenecarboximidamide
CID 3015454
4-[5-[4-(diaminomethyl)phenoxy]pentoxy]benzenecarboximidamide
CID 146331992
4-[10-[4-(2-hydroxyethyl)phenoxy]decoxy]benzenecarboximidamide
CID 142589404
molecular hydrogen;4-[6-(4-prop-1-en-2-ylphenoxy)hexoxy]benzenecarboximidamide
CID 158279595
4-[5-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]pentoxy]benzenecarboximidamide
CID 59159964
4-[2-[bis[2-(4-carbamimidoylphenoxy)ethyl]amino]ethoxy]benzenecarboximidamide
CID 139715205

Frequently Asked Questions

What is the IUPAC name of 4-[8-(4-carbamimidoylphenoxy)octoxy]benzenecarboximidamide;methane?
The IUPAC name of 4-[8-(4-carbamimidoylphenoxy)octoxy]benzenecarboximidamide;methane (CID 158584747) is 4-[8-(4-carbamimidoylphenoxy)octoxy]benzenecarboximidamide;methane.
What is the SMILES notation for 4-[8-(4-carbamimidoylphenoxy)octoxy]benzenecarboximidamide;methane?
The canonical SMILES for 4-[8-(4-carbamimidoylphenoxy)octoxy]benzenecarboximidamide;methane is C.[H]/N=C(\N)c1ccc(OCCCCCCCCOc2ccc(/C(N)=N/[H])cc2)cc1.
What is the InChIKey of 4-[8-(4-carbamimidoylphenoxy)octoxy]benzenecarboximidamide;methane?
The InChIKey is HTRNSPSPABCBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2.CH4/c23-21(24)17-7-11-19(12-8-17)27-15-5-3-1-2-4-6-16-28-20-13-9-18(10-14-20)22(25)26;/h7-14H,1-6,15-16H2,(H3,23,24)(H3,25,26);1H4.
What are the key properties of 4-[8-(4-carbamimidoylphenoxy)octoxy]benzenecarboximidamide;methane?
4-[8-(4-carbamimidoylphenoxy)octoxy]benzenecarboximidamide;methane has a molecular weight of 398.55 g/mol, XLogP of 4.69, 13 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(4-carbamimidoylphenoxy)octoxy]benzenecarboximidamide;methane is sourced from PubChem (CID 158584747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).