N-(4-hydroxy-2-methylpentyl)furan-2-carboxamide

C11H17NO3 — CID 111447853

IUPACN-(4-hydroxy-2-methylpentyl)furan-2-carboxamide
SMILESCC(O)CC(C)CNC(=O)c1ccco1
InChIInChI=1S/C11H17NO3/c1-8(6-9(2)13)7-12-11(14)10-4-3-5-15-10/h3-5,8-9,13H,6-7H2,1-2H3,(H,12,14)
InChIKeyVIMBYAVAIMZOOP-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.42
Rot. Bonds5

About N-(4-hydroxy-2-methylpentyl)furan-2-carboxamide

N-(4-hydroxy-2-methylpentyl)furan-2-carboxamide (PubChem CID 111447853) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylpentyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylpentyl)furan-2-carboxamide
PubChem CID111447853
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC NameN-(4-hydroxy-2-methylpentyl)furan-2-carboxamide
SMILESCC(O)CC(C)CNC(=O)c1ccco1
InChIInChI=1S/C11H17NO3/c1-8(6-9(2)13)7-12-11(14)10-4-3-5-15-10/h3-5,8-9,13H,6-7H2,1-2H3,(H,12,14)
InChIKeyVIMBYAVAIMZOOP-UHFFFAOYSA-N
XLogP1.42
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclopropylpropyl)furan-2-carboxamide
CID 115591186
N-[2-(diethylamino)-4-methylpentyl]furan-2-carboxamide
CID 86984929
N-(4-hydroxy-2-methylpentyl)furan-3-carboxamide
CID 111447081
N-(3-amino-3-hydroxyimino-2-methylpropyl)furan-2-carboxamide
CID 76952760
N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]furan-2-carboxamide
CID 94182049
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]furan-2-carboxamide
CID 94182050
(2R)-2-amino-3-(furan-2-carbonylamino)propanoic acid
CID 131866589
3-(furan-2-carbonylamino)-2-methoxypropanoic acid
CID 106108034
N-[(3R)-3-hydroxy-4,4-dimethylpentyl]furan-2-carboxamide
CID 95740792
N-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]furan-2-carboxamide
CID 95982442
N-[3-(2-hydroxypropylcarbamoyl)phenyl]furan-2-carboxamide
CID 78897732
1-[furan-2-yl(phenyl)methyl]-3-(4-hydroxy-2-methylpentyl)urea
CID 111454135

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylpentyl)furan-2-carboxamide?
The IUPAC name of N-(4-hydroxy-2-methylpentyl)furan-2-carboxamide (CID 111447853) is N-(4-hydroxy-2-methylpentyl)furan-2-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2-methylpentyl)furan-2-carboxamide?
The canonical SMILES for N-(4-hydroxy-2-methylpentyl)furan-2-carboxamide is CC(O)CC(C)CNC(=O)c1ccco1.
What is the InChIKey of N-(4-hydroxy-2-methylpentyl)furan-2-carboxamide?
The InChIKey is VIMBYAVAIMZOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-8(6-9(2)13)7-12-11(14)10-4-3-5-15-10/h3-5,8-9,13H,6-7H2,1-2H3,(H,12,14).
What are the key properties of N-(4-hydroxy-2-methylpentyl)furan-2-carboxamide?
N-(4-hydroxy-2-methylpentyl)furan-2-carboxamide has a molecular weight of 211.26 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylpentyl)furan-2-carboxamide is sourced from PubChem (CID 111447853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).