N-(3-ethyl-2-morpholin-4-ylpentyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide

C23H31FN2O4 — CID 46529402

IUPACN-(3-ethyl-2-morpholin-4-ylpentyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
SMILESCCC(CC)C(CNC(=O)c1ccc(COc2ccc(F)cc2)o1)N1CCOCC1
InChIInChI=1S/C23H31FN2O4/c1-3-17(4-2)21(26-11-13-28-14-12-26)15-25-23(27)22-10-9-20(30-22)16-29-19-7-5-18(24)6-8-19/h5-10,17,21H,3-4,11-16H2,1-2H3,(H,25,27)
InChIKeyAJZOSMDSWRAYCD-UHFFFAOYSA-N
MW418.51 g/mol
LogP3.86
Rot. Bonds10

About N-(3-ethyl-2-morpholin-4-ylpentyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide

N-(3-ethyl-2-morpholin-4-ylpentyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide (PubChem CID 46529402) has the molecular formula C23H31FN2O4 and a molecular weight of 418.51 g/mol. Its IUPAC name is N-(3-ethyl-2-morpholin-4-ylpentyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-ethyl-2-morpholin-4-ylpentyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
PubChem CID46529402
Molecular FormulaC23H31FN2O4
Molecular Weight418.51 g/mol
Exact Mass418.23
IUPAC NameN-(3-ethyl-2-morpholin-4-ylpentyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
SMILESCCC(CC)C(CNC(=O)c1ccc(COc2ccc(F)cc2)o1)N1CCOCC1
InChIInChI=1S/C23H31FN2O4/c1-3-17(4-2)21(26-11-13-28-14-12-26)15-25-23(27)22-10-9-20(30-22)16-29-19-7-5-18(24)6-8-19/h5-10,17,21H,3-4,11-16H2,1-2H3,(H,25,27)
InChIKeyAJZOSMDSWRAYCD-UHFFFAOYSA-N
XLogP3.86
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.51
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-fluorophenoxy)methyl]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]furan-2-carboxamide
CID 43006651
1-(3-ethyl-2-morpholin-4-ylpentyl)-3-(4-fluorophenyl)urea
CID 24664998
[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate
CID 31836704
N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(4-methoxyphenyl)propanamide
CID 75691751
N-(3-ethyl-2-morpholin-4-ylpentyl)-7-methoxy-1-benzofuran-2-carboxamide
CID 78869073
4-(4-fluorophenoxy)-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzamide
CID 32627981
5-[(4-iodophenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 19417296
2-(3-bromo-4-fluorophenyl)-N-(3-ethyl-2-morpholin-4-ylpentyl)acetamide
CID 60524780
4-(difluoromethylsulfonylmethyl)-N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]benzamide
CID 96534807
5-[(4-fluorophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide
CID 19292297
5-[(4-fluorophenoxy)methyl]-N-[2-(4-methoxyphenyl)ethyl]furan-2-carboxamide
CID 55344956
N-[(4-fluorophenyl)methyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 7975174

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-morpholin-4-ylpentyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-(3-ethyl-2-morpholin-4-ylpentyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide (CID 46529402) is N-(3-ethyl-2-morpholin-4-ylpentyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(3-ethyl-2-morpholin-4-ylpentyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-(3-ethyl-2-morpholin-4-ylpentyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide is CCC(CC)C(CNC(=O)c1ccc(COc2ccc(F)cc2)o1)N1CCOCC1.
What is the InChIKey of N-(3-ethyl-2-morpholin-4-ylpentyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide?
The InChIKey is AJZOSMDSWRAYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31FN2O4/c1-3-17(4-2)21(26-11-13-28-14-12-26)15-25-23(27)22-10-9-20(30-22)16-29-19-7-5-18(24)6-8-19/h5-10,17,21H,3-4,11-16H2,1-2H3,(H,25,27).
What are the key properties of N-(3-ethyl-2-morpholin-4-ylpentyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide?
N-(3-ethyl-2-morpholin-4-ylpentyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide has a molecular weight of 418.51 g/mol, XLogP of 3.86, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-morpholin-4-ylpentyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 46529402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).