2-[N-[2-[1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]propyl]-C-methylcarbonimidoyl]-4-methoxyphenol

C21H26N2O4 — CID 136753121

IUPAC2-[N-[2-[1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]propyl]-C-methylcarbonimidoyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(/C(C)=N/CC(C)/N=C(\C)c2cc(OC)ccc2O)c1
InChIInChI=1S/C21H26N2O4/c1-13(23-15(3)19-11-17(27-5)7-9-21(19)25)12-22-14(2)18-10-16(26-4)6-8-20(18)24/h6-11,13,24-25H,12H2,1-5H3/b22-14+,23-15+
InChIKeyZHYVTGIDNRTSCW-HOFJZWJUSA-N
MW370.45 g/mol
LogP3.82
Rot. Bonds7

About 2-[N-[2-[1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]propyl]-C-methylcarbonimidoyl]-4-methoxyphenol

2-[N-[2-[1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]propyl]-C-methylcarbonimidoyl]-4-methoxyphenol (PubChem CID 136753121) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-[N-[2-[1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]propyl]-C-methylcarbonimidoyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[N-[2-[1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]propyl]-C-methylcarbonimidoyl]-4-methoxyphenol
PubChem CID136753121
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name2-[N-[2-[1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]propyl]-C-methylcarbonimidoyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(/C(C)=N/CC(C)/N=C(\C)c2cc(OC)ccc2O)c1
InChIInChI=1S/C21H26N2O4/c1-13(23-15(3)19-11-17(27-5)7-9-21(19)25)12-22-14(2)18-10-16(26-4)6-8-20(18)24/h6-11,13,24-25H,12H2,1-5H3/b22-14+,23-15+
InChIKeyZHYVTGIDNRTSCW-HOFJZWJUSA-N
XLogP3.82
TPSA83.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-5-methoxy-N-(2-methylpropoxy)benzamide
CID 115410347
1-(2-hydroxy-5-methoxyphenyl)-2-methylpropan-1-one
CID 15267102
N'-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-N-propan-2-yloxamide
CID 135575852
ethyl N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]carbamate
CID 135758776
propan-2-yl 2-hydroxy-5-methoxybenzoate
CID 60731005
1-[1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-3-methylthiourea
CID 3005303
2-hydroxy-N-(1-iodo-3-methylbutan-2-yl)-5-methoxybenzamide
CID 107859859
2-[N-[2-(2,5-dimethoxyphenyl)ethyl]-C-methylcarbonimidoyl]phenol
CID 171084714
N-(1-aminopropan-2-yl)-2-hydroxy-5-methoxybenzamide
CID 63733200
2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-5-methoxyphenol
CID 137082808
2-[(Z)-N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]-4-methoxyphenol
CID 135881446
N-(2-aminopropyl)-2-hydroxy-5-methoxy-N-methylbenzamide
CID 63753944

Frequently Asked Questions

What is the IUPAC name of 2-[N-[2-[1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]propyl]-C-methylcarbonimidoyl]-4-methoxyphenol?
The IUPAC name of 2-[N-[2-[1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]propyl]-C-methylcarbonimidoyl]-4-methoxyphenol (CID 136753121) is 2-[N-[2-[1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]propyl]-C-methylcarbonimidoyl]-4-methoxyphenol.
What is the SMILES notation for 2-[N-[2-[1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]propyl]-C-methylcarbonimidoyl]-4-methoxyphenol?
The canonical SMILES for 2-[N-[2-[1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]propyl]-C-methylcarbonimidoyl]-4-methoxyphenol is COc1ccc(O)c(/C(C)=N/CC(C)/N=C(\C)c2cc(OC)ccc2O)c1.
What is the InChIKey of 2-[N-[2-[1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]propyl]-C-methylcarbonimidoyl]-4-methoxyphenol?
The InChIKey is ZHYVTGIDNRTSCW-HOFJZWJUSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-13(23-15(3)19-11-17(27-5)7-9-21(19)25)12-22-14(2)18-10-16(26-4)6-8-20(18)24/h6-11,13,24-25H,12H2,1-5H3/b22-14+,23-15+.
What are the key properties of 2-[N-[2-[1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]propyl]-C-methylcarbonimidoyl]-4-methoxyphenol?
2-[N-[2-[1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]propyl]-C-methylcarbonimidoyl]-4-methoxyphenol has a molecular weight of 370.45 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[2-[1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]propyl]-C-methylcarbonimidoyl]-4-methoxyphenol is sourced from PubChem (CID 136753121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).