methyl 2-[(2-ethoxyphenoxy)methylcarbamoylamino]benzoate

C18H20N2O5 — CID 108877191

IUPACmethyl 2-[(2-ethoxyphenoxy)methylcarbamoylamino]benzoate
SMILESCCOc1ccccc1OCNC(=O)Nc1ccccc1C(=O)OC
InChIInChI=1S/C18H20N2O5/c1-3-24-15-10-6-7-11-16(15)25-12-19-18(22)20-14-9-5-4-8-13(14)17(21)23-2/h4-11H,3,12H2,1-2H3,(H2,19,20,22)
InChIKeyQCRLCKRLYAAJBF-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.03
Rot. Bonds7

About methyl 2-[(2-ethoxyphenoxy)methylcarbamoylamino]benzoate

methyl 2-[(2-ethoxyphenoxy)methylcarbamoylamino]benzoate (PubChem CID 108877191) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is methyl 2-[(2-ethoxyphenoxy)methylcarbamoylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2-ethoxyphenoxy)methylcarbamoylamino]benzoate
PubChem CID108877191
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Namemethyl 2-[(2-ethoxyphenoxy)methylcarbamoylamino]benzoate
SMILESCCOc1ccccc1OCNC(=O)Nc1ccccc1C(=O)OC
InChIInChI=1S/C18H20N2O5/c1-3-24-15-10-6-7-11-16(15)25-12-19-18(22)20-14-9-5-4-8-13(14)17(21)23-2/h4-11H,3,12H2,1-2H3,(H2,19,20,22)
InChIKeyQCRLCKRLYAAJBF-UHFFFAOYSA-N
XLogP3.03
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[(2-ethoxyphenoxy)methyl]-3-(2,3,4-trifluorophenyl)urea
CID 108877405
methyl 2-[(2,3,6-trimethylphenoxy)methylcarbamoylamino]benzoate
CID 108880175
methyl 2-[(4-chloro-3,5-dimethylphenoxy)methylcarbamoylamino]benzoate
CID 108877937
methyl 2-[(3-ethoxy-2-hydroxyphenyl)methylamino]benzoate
CID 51047353
methyl 2-chloro-3-ethoxybenzoate
CID 153384236
methyl 2-(2-phenylethylcarbamoylamino)benzoate
CID 3813760
1-[(2-ethoxyphenoxy)methyl]-3-[(2-methylphenyl)methyl]urea
CID 108877424
1-(2-bromophenyl)-3-[(2-methoxyphenoxy)methyl]urea
CID 108892327
methyl 2-[(3-ethoxynaphthalene-2-carbonyl)amino]benzoate
CID 18093375
1-[(2,4-dichlorophenoxy)methyl]-3-(2-ethoxyphenyl)urea
CID 108881082
1-(2-ethoxyphenyl)-3-(2-methoxyethyl)urea
CID 47032357
1-(4-tert-butylphenyl)-3-[(2-ethoxyphenoxy)methyl]urea
CID 108877331

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-ethoxyphenoxy)methylcarbamoylamino]benzoate?
The IUPAC name of methyl 2-[(2-ethoxyphenoxy)methylcarbamoylamino]benzoate (CID 108877191) is methyl 2-[(2-ethoxyphenoxy)methylcarbamoylamino]benzoate.
What is the SMILES notation for methyl 2-[(2-ethoxyphenoxy)methylcarbamoylamino]benzoate?
The canonical SMILES for methyl 2-[(2-ethoxyphenoxy)methylcarbamoylamino]benzoate is CCOc1ccccc1OCNC(=O)Nc1ccccc1C(=O)OC.
What is the InChIKey of methyl 2-[(2-ethoxyphenoxy)methylcarbamoylamino]benzoate?
The InChIKey is QCRLCKRLYAAJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-3-24-15-10-6-7-11-16(15)25-12-19-18(22)20-14-9-5-4-8-13(14)17(21)23-2/h4-11H,3,12H2,1-2H3,(H2,19,20,22).
What are the key properties of methyl 2-[(2-ethoxyphenoxy)methylcarbamoylamino]benzoate?
methyl 2-[(2-ethoxyphenoxy)methylcarbamoylamino]benzoate has a molecular weight of 344.37 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-ethoxyphenoxy)methylcarbamoylamino]benzoate is sourced from PubChem (CID 108877191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).