methyl 4-[2-(2-carbamoylphenoxy)ethoxy]benzoate

C17H17NO5 — CID 47056930

IUPACmethyl 4-[2-(2-carbamoylphenoxy)ethoxy]benzoate
SMILESCOC(=O)c1ccc(OCCOc2ccccc2C(N)=O)cc1
InChIInChI=1S/C17H17NO5/c1-21-17(20)12-6-8-13(9-7-12)22-10-11-23-15-5-3-2-4-14(15)16(18)19/h2-9H,10-11H2,1H3,(H2,18,19)
InChIKeyIPILCFREJSIQDK-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.03
Rot. Bonds7

About methyl 4-[2-(2-carbamoylphenoxy)ethoxy]benzoate

methyl 4-[2-(2-carbamoylphenoxy)ethoxy]benzoate (PubChem CID 47056930) has the molecular formula C17H17NO5 and a molecular weight of 315.33 g/mol. Its IUPAC name is methyl 4-[2-(2-carbamoylphenoxy)ethoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-(2-carbamoylphenoxy)ethoxy]benzoate
PubChem CID47056930
Molecular FormulaC17H17NO5
Molecular Weight315.33 g/mol
Exact Mass315.11
IUPAC Namemethyl 4-[2-(2-carbamoylphenoxy)ethoxy]benzoate
SMILESCOC(=O)c1ccc(OCCOc2ccccc2C(N)=O)cc1
InChIInChI=1S/C17H17NO5/c1-21-17(20)12-6-8-13(9-7-12)22-10-11-23-15-5-3-2-4-14(15)16(18)19/h2-9H,10-11H2,1H3,(H2,18,19)
InChIKeyIPILCFREJSIQDK-UHFFFAOYSA-N
XLogP2.03
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-methoxycarbonylphenyl)methyl 2-(2-phenoxyethoxy)benzoate
CID 2379646
methyl 4-[4-(2-methoxyphenoxy)butoxy]benzoate
CID 16614189
methyl 2-[2-[2-(2-methoxycarbonylphenoxy)ethoxy]ethoxy]benzoate
CID 15209322
4-methoxy-2-(2-phenoxyethoxy)benzamide
CID 18085843
2-[[4-(2-methoxyethoxy)benzoyl]amino]benzamide
CID 15943277
2-[3-(4-methylsulfonylphenoxy)propoxy]benzamide
CID 51097857
methyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate
CID 104560522
4-[2-(2-methylphenoxy)ethoxy]benzamide
CID 7893411
methyl 2-[2-(2-methoxyethoxy)ethoxy]benzoate
CID 102383086
2-(4-methoxybutoxy)benzamide;dihydrochloride
CID 140972471
methyl 4-(2-propanoyloxyethoxy)benzoate
CID 59386419
methyl 3-amino-4-(2-phenoxyethoxy)benzoate
CID 61305621

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(2-carbamoylphenoxy)ethoxy]benzoate?
The IUPAC name of methyl 4-[2-(2-carbamoylphenoxy)ethoxy]benzoate (CID 47056930) is methyl 4-[2-(2-carbamoylphenoxy)ethoxy]benzoate.
What is the SMILES notation for methyl 4-[2-(2-carbamoylphenoxy)ethoxy]benzoate?
The canonical SMILES for methyl 4-[2-(2-carbamoylphenoxy)ethoxy]benzoate is COC(=O)c1ccc(OCCOc2ccccc2C(N)=O)cc1.
What is the InChIKey of methyl 4-[2-(2-carbamoylphenoxy)ethoxy]benzoate?
The InChIKey is IPILCFREJSIQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5/c1-21-17(20)12-6-8-13(9-7-12)22-10-11-23-15-5-3-2-4-14(15)16(18)19/h2-9H,10-11H2,1H3,(H2,18,19).
What are the key properties of methyl 4-[2-(2-carbamoylphenoxy)ethoxy]benzoate?
methyl 4-[2-(2-carbamoylphenoxy)ethoxy]benzoate has a molecular weight of 315.33 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(2-carbamoylphenoxy)ethoxy]benzoate is sourced from PubChem (CID 47056930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).