ethyl 2-[3-methoxy-4-[[2-(4-phenoxyphenyl)acetyl]amino]phenoxy]acetate

C25H25NO6 — CID 139985252

IUPACethyl 2-[3-methoxy-4-[[2-(4-phenoxyphenyl)acetyl]amino]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(NC(=O)Cc2ccc(Oc3ccccc3)cc2)c(OC)c1
InChIInChI=1S/C25H25NO6/c1-3-30-25(28)17-31-21-13-14-22(23(16-21)29-2)26-24(27)15-18-9-11-20(12-10-18)32-19-7-5-4-6-8-19/h4-14,16H,3,15,17H2,1-2H3,(H,26,27)
InChIKeyHIFPNDHSZWFYJM-UHFFFAOYSA-N
MW435.48 g/mol
LogP4.61
Rot. Bonds10

About ethyl 2-[3-methoxy-4-[[2-(4-phenoxyphenyl)acetyl]amino]phenoxy]acetate

ethyl 2-[3-methoxy-4-[[2-(4-phenoxyphenyl)acetyl]amino]phenoxy]acetate (PubChem CID 139985252) has the molecular formula C25H25NO6 and a molecular weight of 435.48 g/mol. Its IUPAC name is ethyl 2-[3-methoxy-4-[[2-(4-phenoxyphenyl)acetyl]amino]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[3-methoxy-4-[[2-(4-phenoxyphenyl)acetyl]amino]phenoxy]acetate
PubChem CID139985252
Molecular FormulaC25H25NO6
Molecular Weight435.48 g/mol
Exact Mass435.17
IUPAC Nameethyl 2-[3-methoxy-4-[[2-(4-phenoxyphenyl)acetyl]amino]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(NC(=O)Cc2ccc(Oc3ccccc3)cc2)c(OC)c1
InChIInChI=1S/C25H25NO6/c1-3-30-25(28)17-31-21-13-14-22(23(16-21)29-2)26-24(27)15-18-9-11-20(12-10-18)32-19-7-5-4-6-8-19/h4-14,16H,3,15,17H2,1-2H3,(H,26,27)
InChIKeyHIFPNDHSZWFYJM-UHFFFAOYSA-N
XLogP4.61
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl N-[3-[2-(2,4-dimethoxyanilino)-2-oxoethoxy]phenyl]carbamate
CID 2092397
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 4-phenoxybenzoate
CID 7838043
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate
CID 8526175
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 8523284
[2-(2-methoxy-4-nitroanilino)-2-oxoethyl] 2-phenoxyacetate
CID 4151536
N-(2,4-dimethoxyphenyl)-2-(2-ethoxyphenoxy)acetamide
CID 7930919
N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 112999225
2-(3,4-dimethylphenoxy)-N-(2-phenoxyphenyl)acetamide
CID 21368284
2-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-3-methylphenoxy]acetic acid
CID 119231676
N-(2-methoxy-5-methylphenyl)-2-(3-phenoxyphenoxy)acetamide
CID 2108595
ethyl 3-[benzyl-[(2,4-dimethoxyphenyl)carbamoyl]amino]propanoate
CID 42697513
ethyl 2-[4-(2-bromoethyl)-3-methoxyphenoxy]acetate
CID 18620082

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-methoxy-4-[[2-(4-phenoxyphenyl)acetyl]amino]phenoxy]acetate?
The IUPAC name of ethyl 2-[3-methoxy-4-[[2-(4-phenoxyphenyl)acetyl]amino]phenoxy]acetate (CID 139985252) is ethyl 2-[3-methoxy-4-[[2-(4-phenoxyphenyl)acetyl]amino]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[3-methoxy-4-[[2-(4-phenoxyphenyl)acetyl]amino]phenoxy]acetate?
The canonical SMILES for ethyl 2-[3-methoxy-4-[[2-(4-phenoxyphenyl)acetyl]amino]phenoxy]acetate is CCOC(=O)COc1ccc(NC(=O)Cc2ccc(Oc3ccccc3)cc2)c(OC)c1.
What is the InChIKey of ethyl 2-[3-methoxy-4-[[2-(4-phenoxyphenyl)acetyl]amino]phenoxy]acetate?
The InChIKey is HIFPNDHSZWFYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO6/c1-3-30-25(28)17-31-21-13-14-22(23(16-21)29-2)26-24(27)15-18-9-11-20(12-10-18)32-19-7-5-4-6-8-19/h4-14,16H,3,15,17H2,1-2H3,(H,26,27).
What are the key properties of ethyl 2-[3-methoxy-4-[[2-(4-phenoxyphenyl)acetyl]amino]phenoxy]acetate?
ethyl 2-[3-methoxy-4-[[2-(4-phenoxyphenyl)acetyl]amino]phenoxy]acetate has a molecular weight of 435.48 g/mol, XLogP of 4.61, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-methoxy-4-[[2-(4-phenoxyphenyl)acetyl]amino]phenoxy]acetate is sourced from PubChem (CID 139985252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).