N-[1-(furan-2-yl)ethyl]-3-hydroxy-3-phenylbutanamide

C16H19NO3 — CID 110024356

IUPACN-[1-(furan-2-yl)ethyl]-3-hydroxy-3-phenylbutanamide
SMILESCC(NC(=O)CC(C)(O)c1ccccc1)c1ccco1
InChIInChI=1S/C16H19NO3/c1-12(14-9-6-10-20-14)17-15(18)11-16(2,19)13-7-4-3-5-8-13/h3-10,12,19H,11H2,1-2H3,(H,17,18)
InChIKeyJNDCHXSFVCWVDI-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.75
Rot. Bonds5

About N-[1-(furan-2-yl)ethyl]-3-hydroxy-3-phenylbutanamide

N-[1-(furan-2-yl)ethyl]-3-hydroxy-3-phenylbutanamide (PubChem CID 110024356) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]-3-hydroxy-3-phenylbutanamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]-3-hydroxy-3-phenylbutanamide
PubChem CID110024356
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC NameN-[1-(furan-2-yl)ethyl]-3-hydroxy-3-phenylbutanamide
SMILESCC(NC(=O)CC(C)(O)c1ccccc1)c1ccco1
InChIInChI=1S/C16H19NO3/c1-12(14-9-6-10-20-14)17-15(18)11-16(2,19)13-7-4-3-5-8-13/h3-10,12,19H,11H2,1-2H3,(H,17,18)
InChIKeyJNDCHXSFVCWVDI-UHFFFAOYSA-N
XLogP2.75
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-N-(4-methylpentan-2-yl)-3-phenylbutanamide
CID 110026094
2-amino-N-[1-(furan-2-yl)ethyl]-2-phenylpropanamide
CID 55078587
N-[(1S)-1-(furan-2-yl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103940583
4-[1-(furan-2-yl)ethylamino]-4-oxobutanoic acid
CID 43535656
N-[(1S)-1-(furan-2-yl)ethyl]-2-phenylsulfanylacetamide
CID 9482011
3-amino-N-[(1R)-1-(furan-2-yl)ethyl]butanamide
CID 81400293
2-(ethylamino)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 81400688
2-[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethoxy]acetic acid
CID 81408914
6-amino-N-[1-(furan-2-yl)ethyl]-4,4-dimethylhexanamide
CID 65293020
4-amino-N-[1-(furan-2-yl)ethyl]-4-phenylbutanamide
CID 63324031
N-[1-(2,4-difluorophenyl)ethyl]-3-hydroxy-3-phenylbutanamide
CID 110024335
3-chloro-N-[(1S)-1-(furan-2-yl)ethyl]-2,2-dimethylpropanamide
CID 81400085

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethyl]-3-hydroxy-3-phenylbutanamide?
The IUPAC name of N-[1-(furan-2-yl)ethyl]-3-hydroxy-3-phenylbutanamide (CID 110024356) is N-[1-(furan-2-yl)ethyl]-3-hydroxy-3-phenylbutanamide.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]-3-hydroxy-3-phenylbutanamide?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]-3-hydroxy-3-phenylbutanamide is CC(NC(=O)CC(C)(O)c1ccccc1)c1ccco1.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]-3-hydroxy-3-phenylbutanamide?
The InChIKey is JNDCHXSFVCWVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-12(14-9-6-10-20-14)17-15(18)11-16(2,19)13-7-4-3-5-8-13/h3-10,12,19H,11H2,1-2H3,(H,17,18).
What are the key properties of N-[1-(furan-2-yl)ethyl]-3-hydroxy-3-phenylbutanamide?
N-[1-(furan-2-yl)ethyl]-3-hydroxy-3-phenylbutanamide has a molecular weight of 273.33 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethyl]-3-hydroxy-3-phenylbutanamide is sourced from PubChem (CID 110024356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).