N-[(1R)-2-hydroxy-1-phenylethyl]furan-3-carboxamide

C13H13NO3 — CID 113258885

IUPACN-[(1R)-2-hydroxy-1-phenylethyl]furan-3-carboxamide
SMILESO=C(N[C@@H](CO)c1ccccc1)c1ccoc1
InChIInChI=1S/C13H13NO3/c15-8-12(10-4-2-1-3-5-10)14-13(16)11-6-7-17-9-11/h1-7,9,12,15H,8H2,(H,14,16)/t12-/m0/s1
InChIKeyJJJCKLKQJRLOTD-LBPRGKRZSA-N
MW231.25 g/mol
LogP1.74
Rot. Bonds4

About N-[(1R)-2-hydroxy-1-phenylethyl]furan-3-carboxamide

N-[(1R)-2-hydroxy-1-phenylethyl]furan-3-carboxamide (PubChem CID 113258885) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is N-[(1R)-2-hydroxy-1-phenylethyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-hydroxy-1-phenylethyl]furan-3-carboxamide
PubChem CID113258885
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC NameN-[(1R)-2-hydroxy-1-phenylethyl]furan-3-carboxamide
SMILESO=C(N[C@@H](CO)c1ccccc1)c1ccoc1
InChIInChI=1S/C13H13NO3/c15-8-12(10-4-2-1-3-5-10)14-13(16)11-6-7-17-9-11/h1-7,9,12,15H,8H2,(H,14,16)/t12-/m0/s1
InChIKeyJJJCKLKQJRLOTD-LBPRGKRZSA-N
XLogP1.74
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-1-phenylethyl)benzamide
CID 14150746
N-[(1R)-2-(2-oxo-1-pyridinyl)-1-phenylethyl]furan-3-carboxamide
CID 100735320
methyl (3S)-3-(furan-3-carbonylamino)-3-phenylpropanoate
CID 41177012
1-N,3-N,5-N-tris(2-hydroxy-1-phenylethyl)benzene-1,3,5-tricarboxamide
CID 139248401
N-(2-hydroxy-1-phenylethyl)benzamide;hydrochloride
CID 175746997
(2R)-2-(furan-3-carbonylamino)-2-phenylacetic acid
CID 30049473
1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-dicarboxamide
CID 71413066
(3R)-3-(4-bromophenyl)-3-(furan-3-carbonylamino)propanoic acid
CID 97209280
3-(4-bromophenyl)-3-(furan-3-carbonylamino)propanoic acid
CID 75417900
4-(hydroxymethyl)-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63182295
4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 1480121
4-N-(2-hydroxy-1-phenylethyl)benzene-1,4-dicarboxamide
CID 63182176

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-hydroxy-1-phenylethyl]furan-3-carboxamide?
The IUPAC name of N-[(1R)-2-hydroxy-1-phenylethyl]furan-3-carboxamide (CID 113258885) is N-[(1R)-2-hydroxy-1-phenylethyl]furan-3-carboxamide.
What is the SMILES notation for N-[(1R)-2-hydroxy-1-phenylethyl]furan-3-carboxamide?
The canonical SMILES for N-[(1R)-2-hydroxy-1-phenylethyl]furan-3-carboxamide is O=C(N[C@@H](CO)c1ccccc1)c1ccoc1.
What is the InChIKey of N-[(1R)-2-hydroxy-1-phenylethyl]furan-3-carboxamide?
The InChIKey is JJJCKLKQJRLOTD-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H13NO3/c15-8-12(10-4-2-1-3-5-10)14-13(16)11-6-7-17-9-11/h1-7,9,12,15H,8H2,(H,14,16)/t12-/m0/s1.
What are the key properties of N-[(1R)-2-hydroxy-1-phenylethyl]furan-3-carboxamide?
N-[(1R)-2-hydroxy-1-phenylethyl]furan-3-carboxamide has a molecular weight of 231.25 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-hydroxy-1-phenylethyl]furan-3-carboxamide is sourced from PubChem (CID 113258885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).