N-(1-hydroxypropan-2-yl)-3-(phenoxymethyl)furan-2-carboxamide

C15H17NO4 — CID 78856715

IUPACN-(1-hydroxypropan-2-yl)-3-(phenoxymethyl)furan-2-carboxamide
SMILESCC(CO)NC(=O)c1occc1COc1ccccc1
InChIInChI=1S/C15H17NO4/c1-11(9-17)16-15(18)14-12(7-8-19-14)10-20-13-5-3-2-4-6-13/h2-8,11,17H,9-10H2,1H3,(H,16,18)
InChIKeyDBNAPMHAUPOYPE-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.97
Rot. Bonds6

About N-(1-hydroxypropan-2-yl)-3-(phenoxymethyl)furan-2-carboxamide

N-(1-hydroxypropan-2-yl)-3-(phenoxymethyl)furan-2-carboxamide (PubChem CID 78856715) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-3-(phenoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-3-(phenoxymethyl)furan-2-carboxamide
PubChem CID78856715
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC NameN-(1-hydroxypropan-2-yl)-3-(phenoxymethyl)furan-2-carboxamide
SMILESCC(CO)NC(=O)c1occc1COc1ccccc1
InChIInChI=1S/C15H17NO4/c1-11(9-17)16-15(18)14-12(7-8-19-14)10-20-13-5-3-2-4-6-13/h2-8,11,17H,9-10H2,1H3,(H,16,18)
InChIKeyDBNAPMHAUPOYPE-UHFFFAOYSA-N
XLogP1.97
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]butanoic acid
CID 119220829
N-[2-(methylamino)propyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 120832904
N-[1-(3-chlorophenyl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 46689440
N-(2-methoxyethyl)-3-(phenoxymethyl)furan-2-carboxamide
CID 51304876
N-ethoxy-3-(phenoxymethyl)furan-2-carboxamide
CID 30690709
3-(phenoxymethyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]furan-2-carboxamide
CID 46432860
N-[2-(methylamino)ethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 119503301
3-(phenoxymethyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]furan-2-carboxamide
CID 30832733
2-[methyl-[3-(phenoxymethyl)furan-2-carbonyl]amino]propanoic acid
CID 119359087
N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 51123477
N-(2-hydroxy-2,3-dimethylpentyl)-3-(phenoxymethyl)furan-2-carboxamide
CID 111446659
3-(phenoxymethyl)-N-prop-2-enylfuran-2-carboxamide
CID 46689866

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-3-(phenoxymethyl)furan-2-carboxamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-3-(phenoxymethyl)furan-2-carboxamide (CID 78856715) is N-(1-hydroxypropan-2-yl)-3-(phenoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-3-(phenoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-3-(phenoxymethyl)furan-2-carboxamide is CC(CO)NC(=O)c1occc1COc1ccccc1.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-3-(phenoxymethyl)furan-2-carboxamide?
The InChIKey is DBNAPMHAUPOYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-11(9-17)16-15(18)14-12(7-8-19-14)10-20-13-5-3-2-4-6-13/h2-8,11,17H,9-10H2,1H3,(H,16,18).
What are the key properties of N-(1-hydroxypropan-2-yl)-3-(phenoxymethyl)furan-2-carboxamide?
N-(1-hydroxypropan-2-yl)-3-(phenoxymethyl)furan-2-carboxamide has a molecular weight of 275.30 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-3-(phenoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 78856715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).