methyl 4-hydroxy-3-[2-[(2-hydroxybenzoyl)amino]ethyliminomethyl]benzoate

C18H18N2O5 — CID 136719139

IUPACmethyl 4-hydroxy-3-[2-[(2-hydroxybenzoyl)amino]ethyliminomethyl]benzoate
SMILESCOC(=O)c1ccc(O)c(/C=N/CCNC(=O)c2ccccc2O)c1
InChIInChI=1S/C18H18N2O5/c1-25-18(24)12-6-7-15(21)13(10-12)11-19-8-9-20-17(23)14-4-2-3-5-16(14)22/h2-7,10-11,21-22H,8-9H2,1H3,(H,20,23)/b19-11+
InChIKeyMRPHFSQIDQFGHF-YBFXNURJSA-N
MW342.35 g/mol
LogP1.73
Rot. Bonds6

About methyl 4-hydroxy-3-[2-[(2-hydroxybenzoyl)amino]ethyliminomethyl]benzoate

methyl 4-hydroxy-3-[2-[(2-hydroxybenzoyl)amino]ethyliminomethyl]benzoate (PubChem CID 136719139) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is methyl 4-hydroxy-3-[2-[(2-hydroxybenzoyl)amino]ethyliminomethyl]benzoate.

Molecular Properties

Compound Namemethyl 4-hydroxy-3-[2-[(2-hydroxybenzoyl)amino]ethyliminomethyl]benzoate
PubChem CID136719139
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Namemethyl 4-hydroxy-3-[2-[(2-hydroxybenzoyl)amino]ethyliminomethyl]benzoate
SMILESCOC(=O)c1ccc(O)c(/C=N/CCNC(=O)c2ccccc2O)c1
InChIInChI=1S/C18H18N2O5/c1-25-18(24)12-6-7-15(21)13(10-12)11-19-8-9-20-17(23)14-4-2-3-5-16(14)22/h2-7,10-11,21-22H,8-9H2,1H3,(H,20,23)/b19-11+
InChIKeyMRPHFSQIDQFGHF-YBFXNURJSA-N
XLogP1.73
TPSA108.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-hydroxy-3-(2-hydroxyethyliminomethyl)benzoate
CID 172566365
2-hydroxy-N-[2-[(4-methoxyphenyl)methylideneamino]ethyl]benzamide
CID 101344836
N-[2-[(4-hydroxy-3-methoxyphenyl)methylideneamino]ethyl]benzamide
CID 3365484
prop-2-enyl 4-hydroxy-3-[2-[(2-hydroxy-5-prop-2-enoxycarbonylphenyl)methylideneamino]ethyliminomethyl]benzoate
CID 136778163
butyl 3-[4-[(5-butoxycarbonyl-2-hydroxyphenyl)methylideneamino]butyliminomethyl]-4-hydroxybenzoate
CID 136778125
2-N,6-N-bis[2-[(2-hydroxyphenyl)methylideneamino]ethyl]pyridine-2,6-dicarboxamide
CID 135405887
methyl 4-[[(2-hydroxybenzoyl)amino]carbamoyl]benzoate
CID 27693462
3,5-dihydroxy-N-[2-[(2-hydroxybenzoyl)amino]ethyl]benzamide
CID 108540088
[(2-hydroxy-5-methoxycarbonylphenyl)-phenylmethylidene]azanium
CID 169143867
hexyl 3-[4-[(5-hexoxycarbonyl-2-hydroxyphenyl)methylideneamino]butyliminomethyl]-4-hydroxybenzoate
CID 136777660
dimethyl 4-hydroxybenzene-1,3-dicarboxylate;ethane
CID 143860036
2-hydroxy-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538036

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-3-[2-[(2-hydroxybenzoyl)amino]ethyliminomethyl]benzoate?
The IUPAC name of methyl 4-hydroxy-3-[2-[(2-hydroxybenzoyl)amino]ethyliminomethyl]benzoate (CID 136719139) is methyl 4-hydroxy-3-[2-[(2-hydroxybenzoyl)amino]ethyliminomethyl]benzoate.
What is the SMILES notation for methyl 4-hydroxy-3-[2-[(2-hydroxybenzoyl)amino]ethyliminomethyl]benzoate?
The canonical SMILES for methyl 4-hydroxy-3-[2-[(2-hydroxybenzoyl)amino]ethyliminomethyl]benzoate is COC(=O)c1ccc(O)c(/C=N/CCNC(=O)c2ccccc2O)c1.
What is the InChIKey of methyl 4-hydroxy-3-[2-[(2-hydroxybenzoyl)amino]ethyliminomethyl]benzoate?
The InChIKey is MRPHFSQIDQFGHF-YBFXNURJSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-25-18(24)12-6-7-15(21)13(10-12)11-19-8-9-20-17(23)14-4-2-3-5-16(14)22/h2-7,10-11,21-22H,8-9H2,1H3,(H,20,23)/b19-11+.
What are the key properties of methyl 4-hydroxy-3-[2-[(2-hydroxybenzoyl)amino]ethyliminomethyl]benzoate?
methyl 4-hydroxy-3-[2-[(2-hydroxybenzoyl)amino]ethyliminomethyl]benzoate has a molecular weight of 342.35 g/mol, XLogP of 1.73, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-3-[2-[(2-hydroxybenzoyl)amino]ethyliminomethyl]benzoate is sourced from PubChem (CID 136719139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).