N-[(2S,3S)-2-benzyl-3-hydroxy-2-methylbutyl]furan-3-carboxamide

C17H21NO3 — CID 99795548

IUPACN-[(2S,3S)-2-benzyl-3-hydroxy-2-methylbutyl]furan-3-carboxamide
SMILESC[C@H](O)[C@](C)(CNC(=O)c1ccoc1)Cc1ccccc1
InChIInChI=1S/C17H21NO3/c1-13(19)17(2,10-14-6-4-3-5-7-14)12-18-16(20)15-8-9-21-11-15/h3-9,11,13,19H,10,12H2,1-2H3,(H,18,20)/t13-,17-/m0/s1
InChIKeyWJOQUCYCMXWCQT-GUYCJALGSA-N
MW287.36 g/mol
LogP2.64
Rot. Bonds6

About N-[(2S,3S)-2-benzyl-3-hydroxy-2-methylbutyl]furan-3-carboxamide

N-[(2S,3S)-2-benzyl-3-hydroxy-2-methylbutyl]furan-3-carboxamide (PubChem CID 99795548) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[(2S,3S)-2-benzyl-3-hydroxy-2-methylbutyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[(2S,3S)-2-benzyl-3-hydroxy-2-methylbutyl]furan-3-carboxamide
PubChem CID99795548
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC NameN-[(2S,3S)-2-benzyl-3-hydroxy-2-methylbutyl]furan-3-carboxamide
SMILESC[C@H](O)[C@](C)(CNC(=O)c1ccoc1)Cc1ccccc1
InChIInChI=1S/C17H21NO3/c1-13(19)17(2,10-14-6-4-3-5-7-14)12-18-16(20)15-8-9-21-11-15/h3-9,11,13,19H,10,12H2,1-2H3,(H,18,20)/t13-,17-/m0/s1
InChIKeyWJOQUCYCMXWCQT-GUYCJALGSA-N
XLogP2.64
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-benzyl-3-hydroxy-2-methylbutyl)furan-3-carboxamide
CID 102562916
N-[(2R,3S)-2-benzyl-3-hydroxy-2-methylbutyl]-1,3-thiazole-4-carboxamide
CID 99835171
N-(2-anilino-3-methylbutyl)furan-3-carboxamide
CID 47142406
N-[(2S,3R)-2-benzyl-3-hydroxy-2-methylbutyl]oxane-4-carboxamide
CID 99835299
N-(4-amino-2,2-dimethylbutyl)furan-3-carboxamide
CID 106139606
3-[(furan-3-carbonylamino)methyl]benzoic acid
CID 60894235
N-[[3-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide
CID 27515082
N-(4-hydroxy-2-methylpentyl)furan-3-carboxamide
CID 111447081
N-[2-(methylamino)propyl]furan-3-carboxamide
CID 103512728
3-(furan-3-carbonylamino)-2-phenylpropanoic acid
CID 62883834
N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]furan-3-carboxamide
CID 59459002
N-[1-[(2-amino-2-methylpropyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 119626005

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-2-benzyl-3-hydroxy-2-methylbutyl]furan-3-carboxamide?
The IUPAC name of N-[(2S,3S)-2-benzyl-3-hydroxy-2-methylbutyl]furan-3-carboxamide (CID 99795548) is N-[(2S,3S)-2-benzyl-3-hydroxy-2-methylbutyl]furan-3-carboxamide.
What is the SMILES notation for N-[(2S,3S)-2-benzyl-3-hydroxy-2-methylbutyl]furan-3-carboxamide?
The canonical SMILES for N-[(2S,3S)-2-benzyl-3-hydroxy-2-methylbutyl]furan-3-carboxamide is C[C@H](O)[C@](C)(CNC(=O)c1ccoc1)Cc1ccccc1.
What is the InChIKey of N-[(2S,3S)-2-benzyl-3-hydroxy-2-methylbutyl]furan-3-carboxamide?
The InChIKey is WJOQUCYCMXWCQT-GUYCJALGSA-N. The full InChI is InChI=1S/C17H21NO3/c1-13(19)17(2,10-14-6-4-3-5-7-14)12-18-16(20)15-8-9-21-11-15/h3-9,11,13,19H,10,12H2,1-2H3,(H,18,20)/t13-,17-/m0/s1.
What are the key properties of N-[(2S,3S)-2-benzyl-3-hydroxy-2-methylbutyl]furan-3-carboxamide?
N-[(2S,3S)-2-benzyl-3-hydroxy-2-methylbutyl]furan-3-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-2-benzyl-3-hydroxy-2-methylbutyl]furan-3-carboxamide is sourced from PubChem (CID 99795548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).