[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-methylfuran-3-carboxylate

C17H19NO5 — CID 7664239

IUPAC[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-methylfuran-3-carboxylate
SMILESCOc1ccccc1CN(C)C(=O)COC(=O)c1ccoc1C
InChIInChI=1S/C17H19NO5/c1-12-14(8-9-22-12)17(20)23-11-16(19)18(2)10-13-6-4-5-7-15(13)21-3/h4-9H,10-11H2,1-3H3
InChIKeyGUBIHGJMVZSUOQ-UHFFFAOYSA-N
MW317.34 g/mol
LogP2.41
Rot. Bonds6

About [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-methylfuran-3-carboxylate

[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-methylfuran-3-carboxylate (PubChem CID 7664239) has the molecular formula C17H19NO5 and a molecular weight of 317.34 g/mol. Its IUPAC name is [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-methylfuran-3-carboxylate.

Molecular Properties

Compound Name[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-methylfuran-3-carboxylate
PubChem CID7664239
Molecular FormulaC17H19NO5
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Name[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-methylfuran-3-carboxylate
SMILESCOc1ccccc1CN(C)C(=O)COC(=O)c1ccoc1C
InChIInChI=1S/C17H19NO5/c1-12-14(8-9-22-12)17(20)23-11-16(19)18(2)10-13-6-4-5-7-15(13)21-3/h4-9H,10-11H2,1-3H3
InChIKeyGUBIHGJMVZSUOQ-UHFFFAOYSA-N
XLogP2.41
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate
CID 7648687
2-amino-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 60718962
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 7889038
[2-(dibenzylamino)-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 7663083
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxylate
CID 7433762
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-cyanobenzoate
CID 7432850
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-bromo-4-methoxybenzoate
CID 18776539
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]benzoate
CID 55357677
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 5-chloro-2-nitrobenzoate
CID 7560253
N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 60630949
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
CID 7433817
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7432025

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-methylfuran-3-carboxylate?
The IUPAC name of [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-methylfuran-3-carboxylate (CID 7664239) is [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-methylfuran-3-carboxylate.
What is the SMILES notation for [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-methylfuran-3-carboxylate?
The canonical SMILES for [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-methylfuran-3-carboxylate is COc1ccccc1CN(C)C(=O)COC(=O)c1ccoc1C.
What is the InChIKey of [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-methylfuran-3-carboxylate?
The InChIKey is GUBIHGJMVZSUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5/c1-12-14(8-9-22-12)17(20)23-11-16(19)18(2)10-13-6-4-5-7-15(13)21-3/h4-9H,10-11H2,1-3H3.
What are the key properties of [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-methylfuran-3-carboxylate?
[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-methylfuran-3-carboxylate has a molecular weight of 317.34 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-methylfuran-3-carboxylate is sourced from PubChem (CID 7664239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).