[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate

C23H23NO6 — CID 9139034

IUPAC[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
SMILESCN(Cc1ccco1)C(=O)COC(=O)COc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H23NO6/c1-24(14-21-8-5-13-27-21)22(25)16-30-23(26)17-29-20-11-9-19(10-12-20)28-15-18-6-3-2-4-7-18/h2-13H,14-17H2,1H3
InChIKeyNNXIMORVSOSRDQ-UHFFFAOYSA-N
MW409.44 g/mol
LogP3.44
Rot. Bonds10

About [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate

[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate (PubChem CID 9139034) has the molecular formula C23H23NO6 and a molecular weight of 409.44 g/mol. Its IUPAC name is [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate.

Molecular Properties

Compound Name[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
PubChem CID9139034
Molecular FormulaC23H23NO6
Molecular Weight409.44 g/mol
Exact Mass409.15
IUPAC Name[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
SMILESCN(Cc1ccco1)C(=O)COC(=O)COc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H23NO6/c1-24(14-21-8-5-13-27-21)22(25)16-30-23(26)17-29-20-11-9-19(10-12-20)28-15-18-6-3-2-4-7-18/h2-13H,14-17H2,1H3
InChIKeyNNXIMORVSOSRDQ-UHFFFAOYSA-N
XLogP3.44
TPSA78.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
CID 8575019
[2-(N-methylanilino)-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
CID 9139029
N-(furan-2-ylmethyl)-N-methyl-4-(phenoxymethyl)benzamide
CID 112761039
N-(furan-2-ylmethyl)-N-methyl-2-(4-propoxyphenoxy)acetamide
CID 112775334
ethyl 4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethoxy]benzoate
CID 78765345
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 3-[(4-fluorophenyl)methoxy]benzoate
CID 30992535
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-(4-nitrophenoxy)acetate
CID 7770411
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 30552687
2-(3-aminophenoxy)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 54916005
N-benzyl-2-(4-ethoxyphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 99141396
[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
CID 8575022
N-(furan-2-ylmethyl)-2-(3-methoxyphenoxy)-N-methylacetamide
CID 112779308

Frequently Asked Questions

What is the IUPAC name of [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate?
The IUPAC name of [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate (CID 9139034) is [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate.
What is the SMILES notation for [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate?
The canonical SMILES for [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate is CN(Cc1ccco1)C(=O)COC(=O)COc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate?
The InChIKey is NNXIMORVSOSRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO6/c1-24(14-21-8-5-13-27-21)22(25)16-30-23(26)17-29-20-11-9-19(10-12-20)28-15-18-6-3-2-4-7-18/h2-13H,14-17H2,1H3.
What are the key properties of [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate?
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate has a molecular weight of 409.44 g/mol, XLogP of 3.44, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate is sourced from PubChem (CID 9139034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).