4-[5-(4-methylphenoxy)pentoxy]benzenecarboximidamide

C19H24N2O2 — CID 143436452

IUPAC4-[5-(4-methylphenoxy)pentoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCCCCOc2ccc(C)cc2)cc1
InChIInChI=1S/C19H24N2O2/c1-15-5-9-17(10-6-15)22-13-3-2-4-14-23-18-11-7-16(8-12-18)19(20)21/h5-12H,2-4,13-14H2,1H3,(H3,20,21)
InChIKeyIJVYCLLQPDJFEB-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.91
Rot. Bonds9

About 4-[5-(4-methylphenoxy)pentoxy]benzenecarboximidamide

4-[5-(4-methylphenoxy)pentoxy]benzenecarboximidamide (PubChem CID 143436452) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 4-[5-(4-methylphenoxy)pentoxy]benzenecarboximidamide.

Molecular Properties

Compound Name4-[5-(4-methylphenoxy)pentoxy]benzenecarboximidamide
PubChem CID143436452
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name4-[5-(4-methylphenoxy)pentoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCCCCOc2ccc(C)cc2)cc1
InChIInChI=1S/C19H24N2O2/c1-15-5-9-17(10-6-15)22-13-3-2-4-14-23-18-11-7-16(8-12-18)19(20)21/h5-12H,2-4,13-14H2,1H3,(H3,20,21)
InChIKeyIJVYCLLQPDJFEB-UHFFFAOYSA-N
XLogP3.91
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.91
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'}

Analyze 4-[5-(4-methylphenoxy)pentoxy]benzenecarboximidamide 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-[8-(4-carbamimidoylphenoxy)octoxy]benzenecarboximidamide;methane
CID 158584747
4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;platinum(2+);diiodide
CID 10056078
4-octoxybenzenecarboximidamide
CID 3302492
molecular hydrogen;4-[6-(4-prop-1-en-2-ylphenoxy)hexoxy]benzenecarboximidamide
CID 158279595
4-butoxybenzenecarboximidamide
CID 3015454
4-[3-(4-carbamimidoylphenoxy)propoxy]benzenecarboximidamide;hydrochloride
CID 44573593
[amino-[4-[5-(4-carbamimidoylphenoxy)pentoxy]phenyl]methylidene]azanium
CID 24848374
4-[5-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]pentoxy]benzenecarboximidamide
CID 59159964
4-[5-[4-(diaminomethyl)phenoxy]pentoxy]benzenecarboximidamide
CID 146331992
4-[10-[4-(2-hydroxyethyl)phenoxy]decoxy]benzenecarboximidamide
CID 142589404
ethyl 4-(4-carbamimidoylphenoxy)butanoate
CID 23371394

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-methylphenoxy)pentoxy]benzenecarboximidamide?
The IUPAC name of 4-[5-(4-methylphenoxy)pentoxy]benzenecarboximidamide (CID 143436452) is 4-[5-(4-methylphenoxy)pentoxy]benzenecarboximidamide.
What is the SMILES notation for 4-[5-(4-methylphenoxy)pentoxy]benzenecarboximidamide?
The canonical SMILES for 4-[5-(4-methylphenoxy)pentoxy]benzenecarboximidamide is [H]/N=C(\N)c1ccc(OCCCCCOc2ccc(C)cc2)cc1.
What is the InChIKey of 4-[5-(4-methylphenoxy)pentoxy]benzenecarboximidamide?
The InChIKey is IJVYCLLQPDJFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-15-5-9-17(10-6-15)22-13-3-2-4-14-23-18-11-7-16(8-12-18)19(20)21/h5-12H,2-4,13-14H2,1H3,(H3,20,21).
What are the key properties of 4-[5-(4-methylphenoxy)pentoxy]benzenecarboximidamide?
4-[5-(4-methylphenoxy)pentoxy]benzenecarboximidamide has a molecular weight of 312.41 g/mol, XLogP of 3.91, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methylphenoxy)pentoxy]benzenecarboximidamide is sourced from PubChem (CID 143436452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).