methyl 3-[2-(4-methoxyphenoxy)ethylcarbamoylamino]benzoate

C18H20N2O5 — CID 108990581

IUPACmethyl 3-[2-(4-methoxyphenoxy)ethylcarbamoylamino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)NCCOc2ccc(OC)cc2)c1
InChIInChI=1S/C18H20N2O5/c1-23-15-6-8-16(9-7-15)25-11-10-19-18(22)20-14-5-3-4-13(12-14)17(21)24-2/h3-9,12H,10-11H2,1-2H3,(H2,19,20,22)
InChIKeyDJQBBENRMZVHKD-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.68
Rot. Bonds7

About methyl 3-[2-(4-methoxyphenoxy)ethylcarbamoylamino]benzoate

methyl 3-[2-(4-methoxyphenoxy)ethylcarbamoylamino]benzoate (PubChem CID 108990581) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is methyl 3-[2-(4-methoxyphenoxy)ethylcarbamoylamino]benzoate.

Molecular Properties

Compound Namemethyl 3-[2-(4-methoxyphenoxy)ethylcarbamoylamino]benzoate
PubChem CID108990581
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Namemethyl 3-[2-(4-methoxyphenoxy)ethylcarbamoylamino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)NCCOc2ccc(OC)cc2)c1
InChIInChI=1S/C18H20N2O5/c1-23-15-6-8-16(9-7-15)25-11-10-19-18(22)20-14-5-3-4-13(12-14)17(21)24-2/h3-9,12H,10-11H2,1-2H3,(H2,19,20,22)
InChIKeyDJQBBENRMZVHKD-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(4-methoxyphenoxy)ethyl]-3-(3-nitrophenyl)urea
CID 27734408
methyl 3-[2-(3-methoxyphenyl)ethylcarbamoylamino]benzoate
CID 4999432
methyl 3-[3-(2-methylphenoxy)propylcarbamoylamino]benzoate
CID 108884001
1-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylphenyl)urea
CID 51244378
1-(3-bromo-4-methylphenyl)-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108990571
N-[2-[(3-acetylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide
CID 47049634
1-[2-(4-methoxyphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 108866734
tert-butyl N-[3-[2-(4-methoxyphenoxy)ethylcarbamoyl]phenyl]carbamate
CID 8935828
1-(3-acetylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea
CID 112972467
1-N-(3-acetylphenyl)-2-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1,2-dicarboxamide
CID 109139542
1-[2-(4-ethoxyphenoxy)ethyl]-3-(3-methylphenyl)urea
CID 27871438
5-[(3-methoxycarbonylphenyl)carbamoylamino]pentanoic acid
CID 58757430

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(4-methoxyphenoxy)ethylcarbamoylamino]benzoate?
The IUPAC name of methyl 3-[2-(4-methoxyphenoxy)ethylcarbamoylamino]benzoate (CID 108990581) is methyl 3-[2-(4-methoxyphenoxy)ethylcarbamoylamino]benzoate.
What is the SMILES notation for methyl 3-[2-(4-methoxyphenoxy)ethylcarbamoylamino]benzoate?
The canonical SMILES for methyl 3-[2-(4-methoxyphenoxy)ethylcarbamoylamino]benzoate is COC(=O)c1cccc(NC(=O)NCCOc2ccc(OC)cc2)c1.
What is the InChIKey of methyl 3-[2-(4-methoxyphenoxy)ethylcarbamoylamino]benzoate?
The InChIKey is DJQBBENRMZVHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-23-15-6-8-16(9-7-15)25-11-10-19-18(22)20-14-5-3-4-13(12-14)17(21)24-2/h3-9,12H,10-11H2,1-2H3,(H2,19,20,22).
What are the key properties of methyl 3-[2-(4-methoxyphenoxy)ethylcarbamoylamino]benzoate?
methyl 3-[2-(4-methoxyphenoxy)ethylcarbamoylamino]benzoate has a molecular weight of 344.37 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(4-methoxyphenoxy)ethylcarbamoylamino]benzoate is sourced from PubChem (CID 108990581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).