2-(4-methoxyphenoxy)ethyl 3-(furan-2-carbonylamino)-4-methylbenzoate

C22H21NO6 — CID 4803837

IUPAC2-(4-methoxyphenoxy)ethyl 3-(furan-2-carbonylamino)-4-methylbenzoate
SMILESCOc1ccc(OCCOC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)cc1
InChIInChI=1S/C22H21NO6/c1-15-5-6-16(14-19(15)23-21(24)20-4-3-11-28-20)22(25)29-13-12-27-18-9-7-17(26-2)8-10-18/h3-11,14H,12-13H2,1-2H3,(H,23,24)
InChIKeyBXIVCFCTBHCZGP-UHFFFAOYSA-N
MW395.41 g/mol
LogP4.08
Rot. Bonds8

About 2-(4-methoxyphenoxy)ethyl 3-(furan-2-carbonylamino)-4-methylbenzoate

2-(4-methoxyphenoxy)ethyl 3-(furan-2-carbonylamino)-4-methylbenzoate (PubChem CID 4803837) has the molecular formula C22H21NO6 and a molecular weight of 395.41 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)ethyl 3-(furan-2-carbonylamino)-4-methylbenzoate.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)ethyl 3-(furan-2-carbonylamino)-4-methylbenzoate
PubChem CID4803837
Molecular FormulaC22H21NO6
Molecular Weight395.41 g/mol
Exact Mass395.14
IUPAC Name2-(4-methoxyphenoxy)ethyl 3-(furan-2-carbonylamino)-4-methylbenzoate
SMILESCOc1ccc(OCCOC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)cc1
InChIInChI=1S/C22H21NO6/c1-15-5-6-16(14-19(15)23-21(24)20-4-3-11-28-20)22(25)29-13-12-27-18-9-7-17(26-2)8-10-18/h3-11,14H,12-13H2,1-2H3,(H,23,24)
InChIKeyBXIVCFCTBHCZGP-UHFFFAOYSA-N
XLogP4.08
TPSA87.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2-amino-2-oxoethyl) 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 2605474
3-pyridin-4-ylpropyl 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 78772300
(3-methoxycarbonylphenyl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 9319547
[2-(4-methylphenyl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 23937853
[2-(4-ethylphenyl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 7448546
2-(3,5-dimethylpyrazol-1-yl)ethyl 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 60554768
(2-oxo-2-propan-2-yloxyethyl) 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 24557608
[2-(4-bromophenyl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 4801787
(4-tert-butylphenyl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 7846624
[2-(diethylamino)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 2559432
[2-(4-chlorophenyl)-2-oxoethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 4802237
[2-oxo-2-(2,4,5-trichloroanilino)ethyl] 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 2357454

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)ethyl 3-(furan-2-carbonylamino)-4-methylbenzoate?
The IUPAC name of 2-(4-methoxyphenoxy)ethyl 3-(furan-2-carbonylamino)-4-methylbenzoate (CID 4803837) is 2-(4-methoxyphenoxy)ethyl 3-(furan-2-carbonylamino)-4-methylbenzoate.
What is the SMILES notation for 2-(4-methoxyphenoxy)ethyl 3-(furan-2-carbonylamino)-4-methylbenzoate?
The canonical SMILES for 2-(4-methoxyphenoxy)ethyl 3-(furan-2-carbonylamino)-4-methylbenzoate is COc1ccc(OCCOC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)ethyl 3-(furan-2-carbonylamino)-4-methylbenzoate?
The InChIKey is BXIVCFCTBHCZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO6/c1-15-5-6-16(14-19(15)23-21(24)20-4-3-11-28-20)22(25)29-13-12-27-18-9-7-17(26-2)8-10-18/h3-11,14H,12-13H2,1-2H3,(H,23,24).
What are the key properties of 2-(4-methoxyphenoxy)ethyl 3-(furan-2-carbonylamino)-4-methylbenzoate?
2-(4-methoxyphenoxy)ethyl 3-(furan-2-carbonylamino)-4-methylbenzoate has a molecular weight of 395.41 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)ethyl 3-(furan-2-carbonylamino)-4-methylbenzoate is sourced from PubChem (CID 4803837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).