[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate

C17H17NO7 — CID 7879930

IUPAC[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
SMILESCOc1ccc(C(=O)COC(=O)CNC(=O)c2ccco2)c(OC)c1
InChIInChI=1S/C17H17NO7/c1-22-11-5-6-12(15(8-11)23-2)13(19)10-25-16(20)9-18-17(21)14-4-3-7-24-14/h3-8H,9-10H2,1-2H3,(H,18,21)
InChIKeyNHVQAZIDRHHFOH-UHFFFAOYSA-N
MW347.32 g/mol
LogP1.45
Rot. Bonds8

About [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate

[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate (PubChem CID 7879930) has the molecular formula C17H17NO7 and a molecular weight of 347.32 g/mol. Its IUPAC name is [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate.

Molecular Properties

Compound Name[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
PubChem CID7879930
Molecular FormulaC17H17NO7
Molecular Weight347.32 g/mol
Exact Mass347.10
IUPAC Name[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
SMILESCOc1ccc(C(=O)COC(=O)CNC(=O)c2ccco2)c(OC)c1
InChIInChI=1S/C17H17NO7/c1-22-11-5-6-12(15(8-11)23-2)13(19)10-25-16(20)9-18-17(21)14-4-3-7-24-14/h3-8H,9-10H2,1-2H3,(H,18,21)
InChIKeyNHVQAZIDRHHFOH-UHFFFAOYSA-N
XLogP1.45
TPSA104.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.32
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 46606122
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[(3-nitrobenzoyl)amino]acetate
CID 9269573
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] furan-2-carboxylate
CID 2456748
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate
CID 3977727
N-[2-[(2,4-dimethoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 1026612
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 30758901
N-[2-[[2-(2,4-dimethoxyphenyl)acetyl]amino]ethyl]furan-2-carboxamide
CID 24683474
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7854085
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7629515
[2-(1H-indol-3-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 7899244
[2-[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 40567889
N-[2-[(2-fluoro-4-methoxybenzoyl)amino]ethyl]furan-2-carboxamide
CID 86920882

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate?
The IUPAC name of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate (CID 7879930) is [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate.
What is the SMILES notation for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate?
The canonical SMILES for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate is COc1ccc(C(=O)COC(=O)CNC(=O)c2ccco2)c(OC)c1.
What is the InChIKey of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate?
The InChIKey is NHVQAZIDRHHFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO7/c1-22-11-5-6-12(15(8-11)23-2)13(19)10-25-16(20)9-18-17(21)14-4-3-7-24-14/h3-8H,9-10H2,1-2H3,(H,18,21).
What are the key properties of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate?
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate has a molecular weight of 347.32 g/mol, XLogP of 1.45, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate is sourced from PubChem (CID 7879930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).