4-methoxy-N'-[2-(4-methylphenoxy)ethoxy]benzenecarboximidamide

C17H20N2O3 — CID 60522448

IUPAC4-methoxy-N'-[2-(4-methylphenoxy)ethoxy]benzenecarboximidamide
SMILESCOc1ccc(/C(N)=N/OCCOc2ccc(C)cc2)cc1
InChIInChI=1S/C17H20N2O3/c1-13-3-7-16(8-4-13)21-11-12-22-19-17(18)14-5-9-15(20-2)10-6-14/h3-10H,11-12H2,1-2H3,(H2,18,19)
InChIKeyRPALJAQXBVLQTL-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.72
Rot. Bonds7

About 4-methoxy-N'-[2-(4-methylphenoxy)ethoxy]benzenecarboximidamide

4-methoxy-N'-[2-(4-methylphenoxy)ethoxy]benzenecarboximidamide (PubChem CID 60522448) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-methoxy-N'-[2-(4-methylphenoxy)ethoxy]benzenecarboximidamide.

Molecular Properties

Compound Name4-methoxy-N'-[2-(4-methylphenoxy)ethoxy]benzenecarboximidamide
PubChem CID60522448
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name4-methoxy-N'-[2-(4-methylphenoxy)ethoxy]benzenecarboximidamide
SMILESCOc1ccc(/C(N)=N/OCCOc2ccc(C)cc2)cc1
InChIInChI=1S/C17H20N2O3/c1-13-3-7-16(8-4-13)21-11-12-22-19-17(18)14-5-9-15(20-2)10-6-14/h3-10H,11-12H2,1-2H3,(H2,18,19)
InChIKeyRPALJAQXBVLQTL-UHFFFAOYSA-N
XLogP2.72
TPSA66.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-4-[2-(4-methylphenoxy)ethoxy]benzene
CID 2284217
[[amino-(4-methylphenyl)methylidene]amino] 4-phenoxybutanoate
CID 2238445
N'-amino-4-methoxybenzenecarboximidamide
CID 54365169
N'-hydroxy-4-methoxybenzenecarboximidamide
CID 5374066
1-[(Z)-1,2-bis(4-methoxyphenyl)-2-(4-methylphenyl)ethenyl]-4-methylbenzene
CID 58362282
(E)-N-methoxy-1-(4-methoxyphenyl)-1-(4-methylphenyl)methanimine
CID 11357279
[[amino-(4-methylphenyl)methylidene]amino] 2-(4-chlorophenoxy)acetate
CID 5000485
formonitrile;4-heptoxy-N'-hydroxybenzenecarboximidamide;1-heptoxy-4-methylbenzene
CID 172920699
N'-[(5-fluoro-2-methoxyphenyl)methoxy]-4-methoxybenzenecarboximidamide
CID 60522474
4-[5-(4-methylphenoxy)pentoxy]benzenecarboximidamide
CID 143436452
N'-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]benzenecarboximidamide
CID 61301378
[[[4-[5-[4-(N'-acetyloxycarbamimidoyl)phenoxy]pentoxy]phenyl]-aminomethylidene]amino] acetate
CID 85065630

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N'-[2-(4-methylphenoxy)ethoxy]benzenecarboximidamide?
The IUPAC name of 4-methoxy-N'-[2-(4-methylphenoxy)ethoxy]benzenecarboximidamide (CID 60522448) is 4-methoxy-N'-[2-(4-methylphenoxy)ethoxy]benzenecarboximidamide.
What is the SMILES notation for 4-methoxy-N'-[2-(4-methylphenoxy)ethoxy]benzenecarboximidamide?
The canonical SMILES for 4-methoxy-N'-[2-(4-methylphenoxy)ethoxy]benzenecarboximidamide is COc1ccc(/C(N)=N/OCCOc2ccc(C)cc2)cc1.
What is the InChIKey of 4-methoxy-N'-[2-(4-methylphenoxy)ethoxy]benzenecarboximidamide?
The InChIKey is RPALJAQXBVLQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-13-3-7-16(8-4-13)21-11-12-22-19-17(18)14-5-9-15(20-2)10-6-14/h3-10H,11-12H2,1-2H3,(H2,18,19).
What are the key properties of 4-methoxy-N'-[2-(4-methylphenoxy)ethoxy]benzenecarboximidamide?
4-methoxy-N'-[2-(4-methylphenoxy)ethoxy]benzenecarboximidamide has a molecular weight of 300.36 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N'-[2-(4-methylphenoxy)ethoxy]benzenecarboximidamide is sourced from PubChem (CID 60522448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).