methyl 2-[4-[2-(4-carbamoylanilino)-2-oxoethoxy]phenyl]acetate

C18H18N2O5 — CID 7695222

IUPACmethyl 2-[4-[2-(4-carbamoylanilino)-2-oxoethoxy]phenyl]acetate
SMILESCOC(=O)Cc1ccc(OCC(=O)Nc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C18H18N2O5/c1-24-17(22)10-12-2-8-15(9-3-12)25-11-16(21)20-14-6-4-13(5-7-14)18(19)23/h2-9H,10-11H2,1H3,(H2,19,23)(H,20,21)
InChIKeyFVCDVDZXLPGNPJ-UHFFFAOYSA-N
MW342.35 g/mol
LogP1.52
Rot. Bonds7

About methyl 2-[4-[2-(4-carbamoylanilino)-2-oxoethoxy]phenyl]acetate

methyl 2-[4-[2-(4-carbamoylanilino)-2-oxoethoxy]phenyl]acetate (PubChem CID 7695222) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is methyl 2-[4-[2-(4-carbamoylanilino)-2-oxoethoxy]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[2-(4-carbamoylanilino)-2-oxoethoxy]phenyl]acetate
PubChem CID7695222
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Namemethyl 2-[4-[2-(4-carbamoylanilino)-2-oxoethoxy]phenyl]acetate
SMILESCOC(=O)Cc1ccc(OCC(=O)Nc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C18H18N2O5/c1-24-17(22)10-12-2-8-15(9-3-12)25-11-16(21)20-14-6-4-13(5-7-14)18(19)23/h2-9H,10-11H2,1H3,(H2,19,23)(H,20,21)
InChIKeyFVCDVDZXLPGNPJ-UHFFFAOYSA-N
XLogP1.52
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[4-[2-(4-acetylanilino)-2-oxoethoxy]phenyl]acetate
CID 7695234
methyl 2-[4-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]acetate
CID 7695236
methyl 2-[4-[2-(4-tert-butylanilino)-2-oxoethoxy]phenyl]acetate
CID 7695156
methyl 2-[4-[2-(3,4-dimethoxyanilino)-2-oxoethoxy]phenyl]acetate
CID 7695230
methyl 2-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]acetate
CID 7695186
methyl 2-[4-[[2-(3-carbamoylphenoxy)acetyl]amino]phenoxy]acetate
CID 55911984
methyl 2-[4-[2-(4-bromo-3-methylanilino)-2-oxoethoxy]phenyl]acetate
CID 7695168
methyl 2-[4-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]acetate
CID 17296544
[2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791695
[2-(4-carbamoylanilino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 7766635
methyl 2-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethoxy]phenyl]acetate
CID 7695270
N-[4-(carbamoylamino)phenyl]-2-(4-ethylphenoxy)acetamide
CID 33152476

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[2-(4-carbamoylanilino)-2-oxoethoxy]phenyl]acetate?
The IUPAC name of methyl 2-[4-[2-(4-carbamoylanilino)-2-oxoethoxy]phenyl]acetate (CID 7695222) is methyl 2-[4-[2-(4-carbamoylanilino)-2-oxoethoxy]phenyl]acetate.
What is the SMILES notation for methyl 2-[4-[2-(4-carbamoylanilino)-2-oxoethoxy]phenyl]acetate?
The canonical SMILES for methyl 2-[4-[2-(4-carbamoylanilino)-2-oxoethoxy]phenyl]acetate is COC(=O)Cc1ccc(OCC(=O)Nc2ccc(C(N)=O)cc2)cc1.
What is the InChIKey of methyl 2-[4-[2-(4-carbamoylanilino)-2-oxoethoxy]phenyl]acetate?
The InChIKey is FVCDVDZXLPGNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-24-17(22)10-12-2-8-15(9-3-12)25-11-16(21)20-14-6-4-13(5-7-14)18(19)23/h2-9H,10-11H2,1H3,(H2,19,23)(H,20,21).
What are the key properties of methyl 2-[4-[2-(4-carbamoylanilino)-2-oxoethoxy]phenyl]acetate?
methyl 2-[4-[2-(4-carbamoylanilino)-2-oxoethoxy]phenyl]acetate has a molecular weight of 342.35 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[2-(4-carbamoylanilino)-2-oxoethoxy]phenyl]acetate is sourced from PubChem (CID 7695222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).