3-(phenoxymethyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]furan-2-carboxamide

C23H24N2O4 — CID 46432860

IUPAC3-(phenoxymethyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]furan-2-carboxamide
SMILESCCC(=O)Nc1ccc(C(C)NC(=O)c2occc2COc2ccccc2)cc1
InChIInChI=1S/C23H24N2O4/c1-3-21(26)25-19-11-9-17(10-12-19)16(2)24-23(27)22-18(13-14-28-22)15-29-20-7-5-4-6-8-20/h4-14,16H,3,15H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyOIDFUIIYVGWQGA-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.70
Rot. Bonds8

About 3-(phenoxymethyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]furan-2-carboxamide

3-(phenoxymethyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]furan-2-carboxamide (PubChem CID 46432860) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 3-(phenoxymethyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name3-(phenoxymethyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]furan-2-carboxamide
PubChem CID46432860
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name3-(phenoxymethyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]furan-2-carboxamide
SMILESCCC(=O)Nc1ccc(C(C)NC(=O)c2occc2COc2ccccc2)cc1
InChIInChI=1S/C23H24N2O4/c1-3-21(26)25-19-11-9-17(10-12-19)16(2)24-23(27)22-18(13-14-28-22)15-29-20-7-5-4-6-8-20/h4-14,16H,3,15H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyOIDFUIIYVGWQGA-UHFFFAOYSA-N
XLogP4.70
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-chlorophenyl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 46689440
N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 51123477
3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]butanoic acid
CID 119220829
N-(1-hydroxypropan-2-yl)-3-(phenoxymethyl)furan-2-carboxamide
CID 78856715
N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 43071980
N-ethoxy-3-(phenoxymethyl)furan-2-carboxamide
CID 30690709
N-[2-(methylamino)propyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 120832904
N-[4-(cyclopentylmethylamino)phenyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 56533885
N-(2-hydroxy-2,3-dimethylpentyl)-3-(phenoxymethyl)furan-2-carboxamide
CID 111446659
N-[2-(methylamino)ethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 119503301
3-(phenoxymethyl)-N-prop-2-enylfuran-2-carboxamide
CID 46689866
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 55856148

Frequently Asked Questions

What is the IUPAC name of 3-(phenoxymethyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]furan-2-carboxamide?
The IUPAC name of 3-(phenoxymethyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]furan-2-carboxamide (CID 46432860) is 3-(phenoxymethyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]furan-2-carboxamide.
What is the SMILES notation for 3-(phenoxymethyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]furan-2-carboxamide?
The canonical SMILES for 3-(phenoxymethyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]furan-2-carboxamide is CCC(=O)Nc1ccc(C(C)NC(=O)c2occc2COc2ccccc2)cc1.
What is the InChIKey of 3-(phenoxymethyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]furan-2-carboxamide?
The InChIKey is OIDFUIIYVGWQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-3-21(26)25-19-11-9-17(10-12-19)16(2)24-23(27)22-18(13-14-28-22)15-29-20-7-5-4-6-8-20/h4-14,16H,3,15H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of 3-(phenoxymethyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]furan-2-carboxamide?
3-(phenoxymethyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]furan-2-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 4.70, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenoxymethyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 46432860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).