methyl 4-[[[2-(4-carbamoylphenoxy)acetyl]amino]methyl]benzoate

C18H18N2O5 — CID 7931566

IUPACmethyl 4-[[[2-(4-carbamoylphenoxy)acetyl]amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)COc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C18H18N2O5/c1-24-18(23)14-4-2-12(3-5-14)10-20-16(21)11-25-15-8-6-13(7-9-15)17(19)22/h2-9H,10-11H2,1H3,(H2,19,22)(H,20,21)
InChIKeyCMSVYKTZPSVMPI-UHFFFAOYSA-N
MW342.35 g/mol
LogP1.27
Rot. Bonds7

About methyl 4-[[[2-(4-carbamoylphenoxy)acetyl]amino]methyl]benzoate

methyl 4-[[[2-(4-carbamoylphenoxy)acetyl]amino]methyl]benzoate (PubChem CID 7931566) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is methyl 4-[[[2-(4-carbamoylphenoxy)acetyl]amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[[2-(4-carbamoylphenoxy)acetyl]amino]methyl]benzoate
PubChem CID7931566
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Namemethyl 4-[[[2-(4-carbamoylphenoxy)acetyl]amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)COc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C18H18N2O5/c1-24-18(23)14-4-2-12(3-5-14)10-20-16(21)11-25-15-8-6-13(7-9-15)17(19)22/h2-9H,10-11H2,1H3,(H2,19,22)(H,20,21)
InChIKeyCMSVYKTZPSVMPI-UHFFFAOYSA-N
XLogP1.27
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 ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(benzylamino)-2-oxoethoxy]benzamide
CID 7931534
methyl 4-[[[2-(3,4-dimethylphenoxy)acetyl]amino]methyl]benzoate
CID 30789870
4-[2-[(3-methoxyphenyl)methylamino]-2-oxoethoxy]benzamide
CID 7931288
methyl 4-[[[2-(3-chlorophenoxy)acetyl]amino]methyl]benzoate
CID 7688183
methyl 4-[2-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]benzoate
CID 36774109
1-O-methyl 4-O-[2-[(4-methylphenyl)methylamino]-2-oxoethyl] benzene-1,4-dicarboxylate
CID 7296519
2-(4-aminophenoxy)-N-[(4-ethylphenyl)methyl]acetamide
CID 106899089
4-[[[2-(2,3,6-trimethylphenoxy)acetyl]amino]methyl]benzamide
CID 108766269
4-[2-[(3-bromophenyl)methylamino]-2-oxoethoxy]benzamide
CID 55665561
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 8678473
4-[2-[2-(methylamino)propylamino]-2-oxoethoxy]benzamide
CID 120826819
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-ethoxybenzoate
CID 2521886

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[[2-(4-carbamoylphenoxy)acetyl]amino]methyl]benzoate?
The IUPAC name of methyl 4-[[[2-(4-carbamoylphenoxy)acetyl]amino]methyl]benzoate (CID 7931566) is methyl 4-[[[2-(4-carbamoylphenoxy)acetyl]amino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[[2-(4-carbamoylphenoxy)acetyl]amino]methyl]benzoate?
The canonical SMILES for methyl 4-[[[2-(4-carbamoylphenoxy)acetyl]amino]methyl]benzoate is COC(=O)c1ccc(CNC(=O)COc2ccc(C(N)=O)cc2)cc1.
What is the InChIKey of methyl 4-[[[2-(4-carbamoylphenoxy)acetyl]amino]methyl]benzoate?
The InChIKey is CMSVYKTZPSVMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-24-18(23)14-4-2-12(3-5-14)10-20-16(21)11-25-15-8-6-13(7-9-15)17(19)22/h2-9H,10-11H2,1H3,(H2,19,22)(H,20,21).
What are the key properties of methyl 4-[[[2-(4-carbamoylphenoxy)acetyl]amino]methyl]benzoate?
methyl 4-[[[2-(4-carbamoylphenoxy)acetyl]amino]methyl]benzoate has a molecular weight of 342.35 g/mol, XLogP of 1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[[2-(4-carbamoylphenoxy)acetyl]amino]methyl]benzoate is sourced from PubChem (CID 7931566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).