N,N'-bis(4-ethoxyphenyl)methanimidamide

C17H20N2O2 — CID 525811

IUPACN,N'-bis(4-ethoxyphenyl)methanimidamide
SMILESCCOc1ccc(/N=C/Nc2ccc(OCC)cc2)cc1
InChIInChI=1S/C17H20N2O2/c1-3-20-16-9-5-14(6-10-16)18-13-19-15-7-11-17(12-8-15)21-4-2/h5-13H,3-4H2,1-2H3,(H,18,19)
InChIKeyALWBDOJIWNSQAQ-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.26
Rot. Bonds7

About N,N'-bis(4-ethoxyphenyl)methanimidamide

N,N'-bis(4-ethoxyphenyl)methanimidamide (PubChem CID 525811) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N,N'-bis(4-ethoxyphenyl)methanimidamide.

Molecular Properties

Compound NameN,N'-bis(4-ethoxyphenyl)methanimidamide
PubChem CID525811
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN,N'-bis(4-ethoxyphenyl)methanimidamide
SMILESCCOc1ccc(/N=C/Nc2ccc(OCC)cc2)cc1
InChIInChI=1S/C17H20N2O2/c1-3-20-16-9-5-14(6-10-16)18-13-19-15-7-11-17(12-8-15)21-4-2/h5-13H,3-4H2,1-2H3,(H,18,19)
InChIKeyALWBDOJIWNSQAQ-UHFFFAOYSA-N
XLogP4.26
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Diamfenetide
CID 37384
4-Isopropoxydiphenylamine
CID 7574
Etocarlide
CID 667483
Phenacaine
CID 7588
Thiambutosine
CID 3002003
Difenoxuron
CID 26576
(4-Methoxyphenyl)-[2-(p-anisidino)ethyl]amine
CID 1809552
Phenacaine Hydrochloride
CID 12113
N,N'-Bis(3-methoxyphenyl)methanimidamide
CID 18544
Cyanoethyl-4-phenetidine
CID 152647
N-Methyl-4-anisidine
CID 22250
2,4-Diamino-5,6-dihydro-6,6-dimethyl-5-(4'-methoxyphenyl)-s-triazine
CID 88868

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(4-ethoxyphenyl)methanimidamide?
The IUPAC name of N,N'-bis(4-ethoxyphenyl)methanimidamide (CID 525811) is N,N'-bis(4-ethoxyphenyl)methanimidamide.
What is the SMILES notation for N,N'-bis(4-ethoxyphenyl)methanimidamide?
The canonical SMILES for N,N'-bis(4-ethoxyphenyl)methanimidamide is CCOc1ccc(/N=C/Nc2ccc(OCC)cc2)cc1.
What is the InChIKey of N,N'-bis(4-ethoxyphenyl)methanimidamide?
The InChIKey is ALWBDOJIWNSQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-3-20-16-9-5-14(6-10-16)18-13-19-15-7-11-17(12-8-15)21-4-2/h5-13H,3-4H2,1-2H3,(H,18,19).
What are the key properties of N,N'-bis(4-ethoxyphenyl)methanimidamide?
N,N'-bis(4-ethoxyphenyl)methanimidamide has a molecular weight of 284.36 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(4-ethoxyphenyl)methanimidamide is sourced from PubChem (CID 525811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).