N-(1-hydroxy-2-methylpropan-2-yl)-2,5-dimethylfuran-3-carboxamide

C11H17NO3 — CID 43390484

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NC(C)(C)CO)c(C)o1
InChIInChI=1S/C11H17NO3/c1-7-5-9(8(2)15-7)10(14)12-11(3,4)6-13/h5,13H,6H2,1-4H3,(H,12,14)
InChIKeyFYOWBVWCSYVYTR-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.40
Rot. Bonds3

About N-(1-hydroxy-2-methylpropan-2-yl)-2,5-dimethylfuran-3-carboxamide

N-(1-hydroxy-2-methylpropan-2-yl)-2,5-dimethylfuran-3-carboxamide (PubChem CID 43390484) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-2,5-dimethylfuran-3-carboxamide
PubChem CID43390484
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NC(C)(C)CO)c(C)o1
InChIInChI=1S/C11H17NO3/c1-7-5-9(8(2)15-7)10(14)12-11(3,4)6-13/h5,13H,6H2,1-4H3,(H,12,14)
InChIKeyFYOWBVWCSYVYTR-UHFFFAOYSA-N
XLogP1.40
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]-2-methylpropanoate
CID 3858480
N-[3-(aminomethyl)pentan-3-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride
CID 119570912
N-methoxy-2,5-dimethylfuran-3-carboxamide
CID 60716938
N-(4-bromo-2,2-dimethylbutyl)-2,5-dimethylfuran-3-carboxamide
CID 106143435
N-(3-hydroxy-4,4-dimethylpentyl)-2,5-dimethylfuran-3-carboxamide
CID 71689766
(2R)-2-[(2,5-dimethylfuran-3-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 113353004
N-(2-chloro-4,4-dimethylpentyl)-2,5-dimethylfuran-3-carboxamide
CID 107156842
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-2,5-dimethylfuran-3-carboxamide
CID 52907034
2,5-dimethyl-N-prop-2-enylfuran-3-carboxamide
CID 60653753
5-amino-N-(1-hydroxy-2-methylpropan-2-yl)furan-2-carboxamide
CID 82344173
(2R)-2-[(2,5-dimethylfuran-3-carbonyl)amino]-4-hydroxybutanoic acid
CID 107823373
2,5-dimethyl-N-(3-methylbutan-2-yl)furan-3-carboxamide
CID 18712127

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-2,5-dimethylfuran-3-carboxamide (CID 43390484) is N-(1-hydroxy-2-methylpropan-2-yl)-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NC(C)(C)CO)c(C)o1.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-2,5-dimethylfuran-3-carboxamide?
The InChIKey is FYOWBVWCSYVYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-7-5-9(8(2)15-7)10(14)12-11(3,4)6-13/h5,13H,6H2,1-4H3,(H,12,14).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-2,5-dimethylfuran-3-carboxamide?
N-(1-hydroxy-2-methylpropan-2-yl)-2,5-dimethylfuran-3-carboxamide has a molecular weight of 211.26 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 43390484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).