ethyl 5-(morpholin-4-ylmethyl)-2-phenylfuran-3-carboxylate

C18H21NO4 — CID 653527

IUPACethyl 5-(morpholin-4-ylmethyl)-2-phenylfuran-3-carboxylate
SMILESCCOC(=O)c1cc(CN2CCOCC2)oc1-c1ccccc1
InChIInChI=1S/C18H21NO4/c1-2-22-18(20)16-12-15(13-19-8-10-21-11-9-19)23-17(16)14-6-4-3-5-7-14/h3-7,12H,2,8-11,13H2,1H3
InChIKeyFUYYVBHOLHFSMO-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.96
Rot. Bonds5

About ethyl 5-(morpholin-4-ylmethyl)-2-phenylfuran-3-carboxylate

ethyl 5-(morpholin-4-ylmethyl)-2-phenylfuran-3-carboxylate (PubChem CID 653527) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is ethyl 5-(morpholin-4-ylmethyl)-2-phenylfuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(morpholin-4-ylmethyl)-2-phenylfuran-3-carboxylate
PubChem CID653527
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Nameethyl 5-(morpholin-4-ylmethyl)-2-phenylfuran-3-carboxylate
SMILESCCOC(=O)c1cc(CN2CCOCC2)oc1-c1ccccc1
InChIInChI=1S/C18H21NO4/c1-2-22-18(20)16-12-15(13-19-8-10-21-11-9-19)23-17(16)14-6-4-3-5-7-14/h3-7,12H,2,8-11,13H2,1H3
InChIKeyFUYYVBHOLHFSMO-UHFFFAOYSA-N
XLogP2.96
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(+/-)-threo-N-(2-Methylfuran)methylphenidate
CID 52947085
[2-[(2-Methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 7560571
Ethyl 5-methoxy-2-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxylate
CID 38727
5-Morpholin-4-ylmethyl-2-phenyl-furan-3-carboxylic acid
CID 672004
2-Diethylaminomethyl-5-phenyl-furan-3-carboxylic acid
CID 844978
1-[(5-Phenyl-2-furyl)carbonothioyl]piperidine
CID 878187
5-Methoxy-2-(4-methyl-piperazin-1-ylmethyl)-benzofuran-3-carboxylic acid ethyl ester
CID 2917341
Ethyl 5-methoxy-2-((2-methylpiperidin-1-yl)methyl)benzofuran-3-carboxylate hydrochloride
CID 6603495
Methyl 2-(1-azabicyclo[2.2.2]oct-2-en-3-yl)furan-3-carboxylate
CID 10609662
Ethyl 1-(3-methyl-2-furoyl)-4-(2-phenylethyl)piperidine-4-carboxylate
CID 16187782
Ethyl 1-[2-(2-furyl)benzyl]-4-(2-methoxyethyl)piperidine-4-carboxylate
CID 16187783
Ethyl 4-benzyl-1-{[5-(methoxymethyl)-2-furyl]methyl}-4-piperidinecarboxylate
CID 16188666

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(morpholin-4-ylmethyl)-2-phenylfuran-3-carboxylate?
The IUPAC name of ethyl 5-(morpholin-4-ylmethyl)-2-phenylfuran-3-carboxylate (CID 653527) is ethyl 5-(morpholin-4-ylmethyl)-2-phenylfuran-3-carboxylate.
What is the SMILES notation for ethyl 5-(morpholin-4-ylmethyl)-2-phenylfuran-3-carboxylate?
The canonical SMILES for ethyl 5-(morpholin-4-ylmethyl)-2-phenylfuran-3-carboxylate is CCOC(=O)c1cc(CN2CCOCC2)oc1-c1ccccc1.
What is the InChIKey of ethyl 5-(morpholin-4-ylmethyl)-2-phenylfuran-3-carboxylate?
The InChIKey is FUYYVBHOLHFSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-2-22-18(20)16-12-15(13-19-8-10-21-11-9-19)23-17(16)14-6-4-3-5-7-14/h3-7,12H,2,8-11,13H2,1H3.
What are the key properties of ethyl 5-(morpholin-4-ylmethyl)-2-phenylfuran-3-carboxylate?
ethyl 5-(morpholin-4-ylmethyl)-2-phenylfuran-3-carboxylate has a molecular weight of 315.37 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(morpholin-4-ylmethyl)-2-phenylfuran-3-carboxylate is sourced from PubChem (CID 653527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).