dimethyl 2-[hydroxy-[2-methoxy-6-(methylamino)phenyl]methylidene]propanedioate

C14H17NO6 — CID 78358315

IUPACdimethyl 2-[hydroxy-[2-methoxy-6-(methylamino)phenyl]methylidene]propanedioate
SMILESCNc1cccc(OC)c1C(O)=C(C(=O)OC)C(=O)OC
InChIInChI=1S/C14H17NO6/c1-15-8-6-5-7-9(19-2)10(8)12(16)11(13(17)20-3)14(18)21-4/h5-7,15-16H,1-4H3
InChIKeyLCDQKLCMMFGQJJ-UHFFFAOYSA-N
MW295.29 g/mol
LogP1.35
Rot. Bonds5

About dimethyl 2-[hydroxy-[2-methoxy-6-(methylamino)phenyl]methylidene]propanedioate

dimethyl 2-[hydroxy-[2-methoxy-6-(methylamino)phenyl]methylidene]propanedioate (PubChem CID 78358315) has the molecular formula C14H17NO6 and a molecular weight of 295.29 g/mol. Its IUPAC name is dimethyl 2-[hydroxy-[2-methoxy-6-(methylamino)phenyl]methylidene]propanedioate.

Molecular Properties

Compound Namedimethyl 2-[hydroxy-[2-methoxy-6-(methylamino)phenyl]methylidene]propanedioate
PubChem CID78358315
Molecular FormulaC14H17NO6
Molecular Weight295.29 g/mol
Exact Mass295.11
IUPAC Namedimethyl 2-[hydroxy-[2-methoxy-6-(methylamino)phenyl]methylidene]propanedioate
SMILESCNc1cccc(OC)c1C(O)=C(C(=O)OC)C(=O)OC
InChIInChI=1S/C14H17NO6/c1-15-8-6-5-7-9(19-2)10(8)12(16)11(13(17)20-3)14(18)21-4/h5-7,15-16H,1-4H3
InChIKeyLCDQKLCMMFGQJJ-UHFFFAOYSA-N
XLogP1.35
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

1-[2-methoxy-6-(methylamino)phenyl]ethenethiol
CID 142076504
2-methoxy-N-phenylaniline
CID 10910514
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CID 19024304
2,6-dichloro-N-(2-methoxyphenyl)benzamide
CID 853872
methyl 2-[2-(2-methoxyphenyl)hydrazinyl]-2-oxoacetate
CID 22942974
3-(2-methoxyanilino)phenol
CID 82537348
(2-fluoro-3-methoxyphenyl)carbamic acid
CID 66876605
N-(2-anilinophenyl)-2-(2-methoxyanilino)benzamide
CID 23906809
2,6-dimethoxybenzohydrazide
CID 2806104
(2,3-dimethoxyphenyl)hydrazine;oxalic acid
CID 138619580
sodium (Z)-1-(2,6-dimethoxyphenyl)-4-methoxy-3,4-dioxobut-1-en-1-olate
CID 23667840
1-N',2-N'-bis(2-chloro-3-methoxyphenyl)ethanedihydrazide
CID 138620035

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[hydroxy-[2-methoxy-6-(methylamino)phenyl]methylidene]propanedioate?
The IUPAC name of dimethyl 2-[hydroxy-[2-methoxy-6-(methylamino)phenyl]methylidene]propanedioate (CID 78358315) is dimethyl 2-[hydroxy-[2-methoxy-6-(methylamino)phenyl]methylidene]propanedioate.
What is the SMILES notation for dimethyl 2-[hydroxy-[2-methoxy-6-(methylamino)phenyl]methylidene]propanedioate?
The canonical SMILES for dimethyl 2-[hydroxy-[2-methoxy-6-(methylamino)phenyl]methylidene]propanedioate is CNc1cccc(OC)c1C(O)=C(C(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl 2-[hydroxy-[2-methoxy-6-(methylamino)phenyl]methylidene]propanedioate?
The InChIKey is LCDQKLCMMFGQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO6/c1-15-8-6-5-7-9(19-2)10(8)12(16)11(13(17)20-3)14(18)21-4/h5-7,15-16H,1-4H3.
What are the key properties of dimethyl 2-[hydroxy-[2-methoxy-6-(methylamino)phenyl]methylidene]propanedioate?
dimethyl 2-[hydroxy-[2-methoxy-6-(methylamino)phenyl]methylidene]propanedioate has a molecular weight of 295.29 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[hydroxy-[2-methoxy-6-(methylamino)phenyl]methylidene]propanedioate is sourced from PubChem (CID 78358315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).