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

C18H22N2O2 — CID 7588

💊View drug profile → phenacaine
IUPACN,N'-bis(4-ethoxyphenyl)ethanimidamide
SMILESCCOc1ccc(/N=C(\C)Nc2ccc(OCC)cc2)cc1
InChIInChI=1S/C18H22N2O2/c1-4-21-17-10-6-15(7-11-17)19-14(3)20-16-8-12-18(13-9-16)22-5-2/h6-13H,4-5H2,1-3H3,(H,19,20)
InChIKeyQXDAEKSDNVPFJG-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.65
Rot. Bonds6

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

N,N'-bis(4-ethoxyphenyl)ethanimidamide (PubChem CID 7588) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N,N'-bis(4-ethoxyphenyl)ethanimidamide.

Molecular Properties

Compound NameN,N'-bis(4-ethoxyphenyl)ethanimidamide
PubChem CID7588
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN,N'-bis(4-ethoxyphenyl)ethanimidamide
SMILESCCOc1ccc(/N=C(\C)Nc2ccc(OCC)cc2)cc1
InChIInChI=1S/C18H22N2O2/c1-4-21-17-10-6-15(7-11-17)19-14(3)20-16-8-12-18(13-9-16)22-5-2/h6-13H,4-5H2,1-3H3,(H,19,20)
InChIKeyQXDAEKSDNVPFJG-UHFFFAOYSA-N
XLogP4.65
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.65
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

4,4'-Dimethoxydiphenylamine
CID 7571
4-Isopropoxydiphenylamine
CID 7574
Etocarlide
CID 667483
Diamfenetide
CID 37384
N-(4-Phenoxyphenyl)acetamide
CID 80579
2,4-Diamino-5,6-dihydro-6,6-dimethyl-5-(4'-methoxyphenyl)-s-triazine
CID 88868
(4-Methoxyphenyl)-[2-(p-anisidino)ethyl]amine
CID 1809552
Phenacaine Hydrochloride
CID 12113
N-phenyl-p-anisidine
CID 14581
1-(4-Ethoxyphenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine
CID 6603416
1-(4-Methoxyphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 9551963
4-Amino-1-[4-(benzyloxy)phenyl]-6,6-dimethyl-1,6-dihydro-1,3,5-triazin-2-ylamine
CID 10448877

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(4-ethoxyphenyl)ethanimidamide?
The IUPAC name of N,N'-bis(4-ethoxyphenyl)ethanimidamide (CID 7588) is N,N'-bis(4-ethoxyphenyl)ethanimidamide.
What is the SMILES notation for N,N'-bis(4-ethoxyphenyl)ethanimidamide?
The canonical SMILES for N,N'-bis(4-ethoxyphenyl)ethanimidamide is CCOc1ccc(/N=C(\C)Nc2ccc(OCC)cc2)cc1.
What is the InChIKey of N,N'-bis(4-ethoxyphenyl)ethanimidamide?
The InChIKey is QXDAEKSDNVPFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-4-21-17-10-6-15(7-11-17)19-14(3)20-16-8-12-18(13-9-16)22-5-2/h6-13H,4-5H2,1-3H3,(H,19,20).
What are the key properties of N,N'-bis(4-ethoxyphenyl)ethanimidamide?
N,N'-bis(4-ethoxyphenyl)ethanimidamide has a molecular weight of 298.39 g/mol, XLogP of 4.65, 6 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)ethanimidamide is sourced from PubChem (CID 7588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).