N-(4-hydroxy-2,2-dimethylbutyl)-5-methylfuran-2-carboxamide

C12H19NO3 — CID 103772319

IUPACN-(4-hydroxy-2,2-dimethylbutyl)-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)NCC(C)(C)CCO)o1
InChIInChI=1S/C12H19NO3/c1-9-4-5-10(16-9)11(15)13-8-12(2,3)6-7-14/h4-5,14H,6-8H2,1-3H3,(H,13,15)
InChIKeyLDZRQVTWRCJQES-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.73
Rot. Bonds5

About N-(4-hydroxy-2,2-dimethylbutyl)-5-methylfuran-2-carboxamide

N-(4-hydroxy-2,2-dimethylbutyl)-5-methylfuran-2-carboxamide (PubChem CID 103772319) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-(4-hydroxy-2,2-dimethylbutyl)-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,2-dimethylbutyl)-5-methylfuran-2-carboxamide
PubChem CID103772319
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC NameN-(4-hydroxy-2,2-dimethylbutyl)-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)NCC(C)(C)CCO)o1
InChIInChI=1S/C12H19NO3/c1-9-4-5-10(16-9)11(15)13-8-12(2,3)6-7-14/h4-5,14H,6-8H2,1-3H3,(H,13,15)
InChIKeyLDZRQVTWRCJQES-UHFFFAOYSA-N
XLogP1.73
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(4-hydroxy-2,2-dimethylbutyl)-5-methylfuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,2-difluoro-3-hydroxypropyl)-5-methylfuran-2-carboxamide
CID 104857131
N-(4-hydroxybutyl)-5-methylfuran-2-carboxamide
CID 106843396
4-(aminomethyl)-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 106147923
N-[2-(aminomethyl)-2-ethylbutyl]-5-methylfuran-2-carboxamide
CID 106250802
N-(4-hydroxy-2,2-dimethylbutyl)-4-(methoxymethyl)benzamide
CID 103772341
4-[(dimethylamino)methyl]-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 103825036
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-5-methylfuran-2-carboxamide
CID 29294243
N-(4-hydroxy-2,2-dimethylbutyl)-4-(methylsulfonylmethyl)benzamide
CID 103772293
5-methyl-N-(2-methylpropyl)furan-2-carboxamide
CID 3644011
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-5-methylfuran-2-carboxamide
CID 107845274
4-N-(4-hydroxy-2,2-dimethylbutyl)benzene-1,4-dicarboxamide
CID 103772906
N-(4-hydroxy-2,2-dimethylbutyl)-2-(3-methylphenyl)acetamide
CID 103772365

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,2-dimethylbutyl)-5-methylfuran-2-carboxamide?
The IUPAC name of N-(4-hydroxy-2,2-dimethylbutyl)-5-methylfuran-2-carboxamide (CID 103772319) is N-(4-hydroxy-2,2-dimethylbutyl)-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2,2-dimethylbutyl)-5-methylfuran-2-carboxamide?
The canonical SMILES for N-(4-hydroxy-2,2-dimethylbutyl)-5-methylfuran-2-carboxamide is Cc1ccc(C(=O)NCC(C)(C)CCO)o1.
What is the InChIKey of N-(4-hydroxy-2,2-dimethylbutyl)-5-methylfuran-2-carboxamide?
The InChIKey is LDZRQVTWRCJQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-9-4-5-10(16-9)11(15)13-8-12(2,3)6-7-14/h4-5,14H,6-8H2,1-3H3,(H,13,15).
What are the key properties of N-(4-hydroxy-2,2-dimethylbutyl)-5-methylfuran-2-carboxamide?
N-(4-hydroxy-2,2-dimethylbutyl)-5-methylfuran-2-carboxamide has a molecular weight of 225.29 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,2-dimethylbutyl)-5-methylfuran-2-carboxamide is sourced from PubChem (CID 103772319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).