2-(C,N-dimethylcarbonimidoyl)-3-[2-[1-(2-ethoxy-6-hydroxyphenyl)ethylideneamino]ethyl]phenol

C21H26N2O3 — CID 136656555

IUPAC2-(C,N-dimethylcarbonimidoyl)-3-[2-[1-(2-ethoxy-6-hydroxyphenyl)ethylideneamino]ethyl]phenol
SMILESCCOc1cccc(O)c1/C(C)=N/CCc1cccc(O)c1/C(C)=N/C
InChIInChI=1S/C21H26N2O3/c1-5-26-19-11-7-10-18(25)21(19)15(3)23-13-12-16-8-6-9-17(24)20(16)14(2)22-4/h6-11,24-25H,5,12-13H2,1-4H3/b22-14+,23-15+
InChIKeyARKCOVJXQDGXNU-HOFJZWJUSA-N
MW354.45 g/mol
LogP3.99
Rot. Bonds7

About 2-(C,N-dimethylcarbonimidoyl)-3-[2-[1-(2-ethoxy-6-hydroxyphenyl)ethylideneamino]ethyl]phenol

2-(C,N-dimethylcarbonimidoyl)-3-[2-[1-(2-ethoxy-6-hydroxyphenyl)ethylideneamino]ethyl]phenol (PubChem CID 136656555) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-(C,N-dimethylcarbonimidoyl)-3-[2-[1-(2-ethoxy-6-hydroxyphenyl)ethylideneamino]ethyl]phenol.

Molecular Properties

Compound Name2-(C,N-dimethylcarbonimidoyl)-3-[2-[1-(2-ethoxy-6-hydroxyphenyl)ethylideneamino]ethyl]phenol
PubChem CID136656555
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name2-(C,N-dimethylcarbonimidoyl)-3-[2-[1-(2-ethoxy-6-hydroxyphenyl)ethylideneamino]ethyl]phenol
SMILESCCOc1cccc(O)c1/C(C)=N/CCc1cccc(O)c1/C(C)=N/C
InChIInChI=1S/C21H26N2O3/c1-5-26-19-11-7-10-18(25)21(19)15(3)23-13-12-16-8-6-9-17(24)20(16)14(2)22-4/h6-11,24-25H,5,12-13H2,1-4H3/b22-14+,23-15+
InChIKeyARKCOVJXQDGXNU-HOFJZWJUSA-N
XLogP3.99
TPSA74.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-N-(benzylamino)-C-methylcarbonimidoyl]-3-ethoxyphenol
CID 135518236
2-[2-(2-ethoxyphenyl)ethyl]-1,1,3,3-tetramethylguanidine
CID 111100154
1-(2-ethoxy-6-ethylphenyl)ethanone
CID 147544535
2-ethoxy-6-propylbenzoic acid
CID 142472864
1-(2-azidoethyl)-2-ethoxybenzene
CID 150018068
tert-butyl 2-ethoxy-6-hydroxybenzoate
CID 155056489
2-[2-(2-ethoxyphenyl)ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111100181
1-[2-(difluoromethyl)-6-ethoxyphenyl]ethanone
CID 170996692
2-ethoxy-6-(3-sulfanylpropyl)phenol
CID 83930701
2-ethoxy-6-heptadecylphenol
CID 10499794
1-(2-ethoxy-6-methylphenyl)ethanone
CID 54221624
ethyl 2-(2-cyanoethyl)-6-ethoxybenzoate
CID 134641279

Frequently Asked Questions

What is the IUPAC name of 2-(C,N-dimethylcarbonimidoyl)-3-[2-[1-(2-ethoxy-6-hydroxyphenyl)ethylideneamino]ethyl]phenol?
The IUPAC name of 2-(C,N-dimethylcarbonimidoyl)-3-[2-[1-(2-ethoxy-6-hydroxyphenyl)ethylideneamino]ethyl]phenol (CID 136656555) is 2-(C,N-dimethylcarbonimidoyl)-3-[2-[1-(2-ethoxy-6-hydroxyphenyl)ethylideneamino]ethyl]phenol.
What is the SMILES notation for 2-(C,N-dimethylcarbonimidoyl)-3-[2-[1-(2-ethoxy-6-hydroxyphenyl)ethylideneamino]ethyl]phenol?
The canonical SMILES for 2-(C,N-dimethylcarbonimidoyl)-3-[2-[1-(2-ethoxy-6-hydroxyphenyl)ethylideneamino]ethyl]phenol is CCOc1cccc(O)c1/C(C)=N/CCc1cccc(O)c1/C(C)=N/C.
What is the InChIKey of 2-(C,N-dimethylcarbonimidoyl)-3-[2-[1-(2-ethoxy-6-hydroxyphenyl)ethylideneamino]ethyl]phenol?
The InChIKey is ARKCOVJXQDGXNU-HOFJZWJUSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-5-26-19-11-7-10-18(25)21(19)15(3)23-13-12-16-8-6-9-17(24)20(16)14(2)22-4/h6-11,24-25H,5,12-13H2,1-4H3/b22-14+,23-15+.
What are the key properties of 2-(C,N-dimethylcarbonimidoyl)-3-[2-[1-(2-ethoxy-6-hydroxyphenyl)ethylideneamino]ethyl]phenol?
2-(C,N-dimethylcarbonimidoyl)-3-[2-[1-(2-ethoxy-6-hydroxyphenyl)ethylideneamino]ethyl]phenol has a molecular weight of 354.45 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(C,N-dimethylcarbonimidoyl)-3-[2-[1-(2-ethoxy-6-hydroxyphenyl)ethylideneamino]ethyl]phenol is sourced from PubChem (CID 136656555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).