[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate

C24H25NO6 — CID 8575019

IUPAC[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
SMILESCc1ccc(CN(C)C(=O)COC(=O)COc2ccc(OCc3ccccc3)cc2)o1
InChIInChI=1S/C24H25NO6/c1-18-8-9-22(31-18)14-25(2)23(26)16-30-24(27)17-29-21-12-10-20(11-13-21)28-15-19-6-4-3-5-7-19/h3-13H,14-17H2,1-2H3
InChIKeyRILLLFRKAVEWEN-UHFFFAOYSA-N
MW423.47 g/mol
LogP3.75
Rot. Bonds10

About [2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate

[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate (PubChem CID 8575019) has the molecular formula C24H25NO6 and a molecular weight of 423.47 g/mol. Its IUPAC name is [2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate.

Molecular Properties

Compound Name[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
PubChem CID8575019
Molecular FormulaC24H25NO6
Molecular Weight423.47 g/mol
Exact Mass423.17
IUPAC Name[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
SMILESCc1ccc(CN(C)C(=O)COC(=O)COc2ccc(OCc3ccccc3)cc2)o1
InChIInChI=1S/C24H25NO6/c1-18-8-9-22(31-18)14-25(2)23(26)16-30-24(27)17-29-21-12-10-20(11-13-21)28-15-19-6-4-3-5-7-19/h3-13H,14-17H2,1-2H3
InChIKeyRILLLFRKAVEWEN-UHFFFAOYSA-N
XLogP3.75
TPSA78.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
CID 9139034
[2-(N-methylanilino)-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
CID 9139029
2-(4-fluorophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 78784494
[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl] 4-phenoxybenzoate
CID 9009251
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-(4-nitrophenoxy)acetate
CID 7770411
[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
CID 8575022
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-phenylphenoxy)acetamide
CID 4786375
2-(2-fluorophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 78784513
3-(2-aminophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 61093438
[2-[benzyl(methyl)amino]-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate
CID 2381043
[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7628990
[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl] 2-[[5-(2-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 16565211

Frequently Asked Questions

What is the IUPAC name of [2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate?
The IUPAC name of [2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate (CID 8575019) is [2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate.
What is the SMILES notation for [2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate?
The canonical SMILES for [2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate is Cc1ccc(CN(C)C(=O)COC(=O)COc2ccc(OCc3ccccc3)cc2)o1.
What is the InChIKey of [2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate?
The InChIKey is RILLLFRKAVEWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO6/c1-18-8-9-22(31-18)14-25(2)23(26)16-30-24(27)17-29-21-12-10-20(11-13-21)28-15-19-6-4-3-5-7-19/h3-13H,14-17H2,1-2H3.
What are the key properties of [2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate?
[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate has a molecular weight of 423.47 g/mol, XLogP of 3.75, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate is sourced from PubChem (CID 8575019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).