N-(1-hydroxy-3-methylbutan-2-yl)-3-methylfuran-2-carboxamide

C11H17NO3 — CID 79252738

IUPACN-(1-hydroxy-3-methylbutan-2-yl)-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)NC(CO)C(C)C
InChIInChI=1S/C11H17NO3/c1-7(2)9(6-13)12-11(14)10-8(3)4-5-15-10/h4-5,7,9,13H,6H2,1-3H3,(H,12,14)
InChIKeyMKSJYFYQOXZOHN-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.33
Rot. Bonds4

About N-(1-hydroxy-3-methylbutan-2-yl)-3-methylfuran-2-carboxamide

N-(1-hydroxy-3-methylbutan-2-yl)-3-methylfuran-2-carboxamide (PubChem CID 79252738) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylbutan-2-yl)-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylbutan-2-yl)-3-methylfuran-2-carboxamide
PubChem CID79252738
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC NameN-(1-hydroxy-3-methylbutan-2-yl)-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)NC(CO)C(C)C
InChIInChI=1S/C11H17NO3/c1-7(2)9(6-13)12-11(14)10-8(3)4-5-15-10/h4-5,7,9,13H,6H2,1-3H3,(H,12,14)
InChIKeyMKSJYFYQOXZOHN-UHFFFAOYSA-N
XLogP1.33
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-4-methylpentan-3-yl)-3-methylfuran-2-carboxamide
CID 106356722
N-(1-hydroxy-4-methylpentan-2-yl)-3-methylfuran-2-carboxamide
CID 61247341
N-(1-cyanoethyl)-3-methylfuran-2-carboxamide
CID 61121242
2-[(3-methylfuran-2-carbonyl)amino]-3-sulfanylpropanoic acid
CID 16776859
N-(1-hydroxy-3-methylbutan-2-yl)-5-methylfuran-2-carboxamide
CID 79252093
3-methyl-N-(3-methyl-1-phenylbutyl)furan-2-carboxamide
CID 43054971
3-methyl-N-[2-methyl-3-(methylamino)propyl]furan-2-carboxamide
CID 81479014
(2S)-2-[(3-methylfuran-2-carbonyl)amino]-3-phenylpropanoic acid
CID 30049147
3-methyl-N-(1-pyrazol-1-ylpropan-2-yl)furan-2-carboxamide
CID 51079611
3-methyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]furan-2-carboxamide
CID 38611766
N-(cyanomethyl)-3-methylfuran-2-carboxamide
CID 60893946
(3S)-3-[(3-methylfuran-2-carbonyl)amino]-3-(2-methylphenyl)propanoic acid
CID 99851595

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)-3-methylfuran-2-carboxamide?
The IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)-3-methylfuran-2-carboxamide (CID 79252738) is N-(1-hydroxy-3-methylbutan-2-yl)-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-(1-hydroxy-3-methylbutan-2-yl)-3-methylfuran-2-carboxamide?
The canonical SMILES for N-(1-hydroxy-3-methylbutan-2-yl)-3-methylfuran-2-carboxamide is Cc1ccoc1C(=O)NC(CO)C(C)C.
What is the InChIKey of N-(1-hydroxy-3-methylbutan-2-yl)-3-methylfuran-2-carboxamide?
The InChIKey is MKSJYFYQOXZOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-7(2)9(6-13)12-11(14)10-8(3)4-5-15-10/h4-5,7,9,13H,6H2,1-3H3,(H,12,14).
What are the key properties of N-(1-hydroxy-3-methylbutan-2-yl)-3-methylfuran-2-carboxamide?
N-(1-hydroxy-3-methylbutan-2-yl)-3-methylfuran-2-carboxamide has a molecular weight of 211.26 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylbutan-2-yl)-3-methylfuran-2-carboxamide is sourced from PubChem (CID 79252738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).