methyl 2-[[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxymethyl]furan-3-carboxylate

C17H19NO5 — CID 78839600

IUPACmethyl 2-[[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxymethyl]furan-3-carboxylate
SMILESCOC(=O)c1ccoc1CO/N=C/c1ccccc1OC(C)C
InChIInChI=1S/C17H19NO5/c1-12(2)23-15-7-5-4-6-13(15)10-18-22-11-16-14(8-9-21-16)17(19)20-3/h4-10,12H,11H2,1-3H3/b18-10+
InChIKeyVNFANXITLLWOIY-VCHYOVAHSA-N
MW317.34 g/mol
LogP3.40
Rot. Bonds7

About methyl 2-[[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxymethyl]furan-3-carboxylate

methyl 2-[[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxymethyl]furan-3-carboxylate (PubChem CID 78839600) has the molecular formula C17H19NO5 and a molecular weight of 317.34 g/mol. Its IUPAC name is methyl 2-[[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxymethyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxymethyl]furan-3-carboxylate
PubChem CID78839600
Molecular FormulaC17H19NO5
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Namemethyl 2-[[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxymethyl]furan-3-carboxylate
SMILESCOC(=O)c1ccoc1CO/N=C/c1ccccc1OC(C)C
InChIInChI=1S/C17H19NO5/c1-12(2)23-15-7-5-4-6-13(15)10-18-22-11-16-14(8-9-21-16)17(19)20-3/h4-10,12H,11H2,1-3H3/b18-10+
InChIKeyVNFANXITLLWOIY-VCHYOVAHSA-N
XLogP3.40
TPSA70.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 2-[[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxymethyl]furan-3-carboxylate with MolForge

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Related Compounds

N-propan-2-yl-2-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxyacetamide
CID 78766744
N-methoxy-1-(2-propan-2-yloxyphenyl)methanimine
CID 73094502
methyl 4-[[(E)-(2-methoxyphenyl)methylideneamino]oxymethyl]benzoate
CID 6905552
methyl 2-[[2-(methylaminomethyl)phenoxy]methyl]furan-3-carboxylate
CID 106484655
N,N'-bis[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxamide
CID 5334919
1-(azepan-1-yl)-2-[(2-propan-2-yloxyphenyl)methylideneamino]oxyethanone
CID 78767129
N-(3-methylphenyl)-2-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxyacetamide
CID 78767132
methyl 2-propylfuran-3-carboxylate
CID 15686850
N-(3-methylsulfanylphenyl)-2-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxyacetamide
CID 78767160
1,3-bis[(2-propan-2-yloxyphenyl)methylideneamino]thiourea
CID 2566373
(3-methoxycarbonylfuran-2-yl)methylazanium
CID 7022982
methyl 2-[(2-methyl-5-propan-2-ylphenoxy)methyl]furan-3-carboxylate
CID 55512098

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxymethyl]furan-3-carboxylate?
The IUPAC name of methyl 2-[[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxymethyl]furan-3-carboxylate (CID 78839600) is methyl 2-[[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxymethyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-[[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxymethyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-[[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxymethyl]furan-3-carboxylate is COC(=O)c1ccoc1CO/N=C/c1ccccc1OC(C)C.
What is the InChIKey of methyl 2-[[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxymethyl]furan-3-carboxylate?
The InChIKey is VNFANXITLLWOIY-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H19NO5/c1-12(2)23-15-7-5-4-6-13(15)10-18-22-11-16-14(8-9-21-16)17(19)20-3/h4-10,12H,11H2,1-3H3/b18-10+.
What are the key properties of methyl 2-[[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxymethyl]furan-3-carboxylate?
methyl 2-[[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxymethyl]furan-3-carboxylate has a molecular weight of 317.34 g/mol, XLogP of 3.40, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxymethyl]furan-3-carboxylate is sourced from PubChem (CID 78839600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).