N-(3-hydroxy-4,4-dimethylpentyl)-2,5-dimethylfuran-3-carboxamide

C14H23NO3 — CID 71689766

IUPACN-(3-hydroxy-4,4-dimethylpentyl)-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCCC(O)C(C)(C)C)c(C)o1
InChIInChI=1S/C14H23NO3/c1-9-8-11(10(2)18-9)13(17)15-7-6-12(16)14(3,4)5/h8,12,16H,6-7H2,1-5H3,(H,15,17)
InChIKeyZEUGHAJKIWUDHL-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.42
Rot. Bonds4

About N-(3-hydroxy-4,4-dimethylpentyl)-2,5-dimethylfuran-3-carboxamide

N-(3-hydroxy-4,4-dimethylpentyl)-2,5-dimethylfuran-3-carboxamide (PubChem CID 71689766) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is N-(3-hydroxy-4,4-dimethylpentyl)-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-4,4-dimethylpentyl)-2,5-dimethylfuran-3-carboxamide
PubChem CID71689766
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC NameN-(3-hydroxy-4,4-dimethylpentyl)-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCCC(O)C(C)(C)C)c(C)o1
InChIInChI=1S/C14H23NO3/c1-9-8-11(10(2)18-9)13(17)15-7-6-12(16)14(3,4)5/h8,12,16H,6-7H2,1-5H3,(H,15,17)
InChIKeyZEUGHAJKIWUDHL-UHFFFAOYSA-N
XLogP2.42
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-hydroxy-4,4-dimethylpentyl)-2,5-dimethylfuran-3-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

2,5-dimethyl-N-(3-methylbutyl)furan-3-carboxamide
CID 35523982
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2,5-dimethylfuran-3-carboxamide
CID 121133032
N-(5-hydroxy-4-methylpentyl)-2,5-dimethylfuran-3-carboxamide
CID 103861683
N-(5-bromo-4-methylpentyl)-2,5-dimethylfuran-3-carboxamide
CID 106157282
5-[(2,5-dimethylfuran-3-carbonyl)amino]-2-methylpentanoic acid
CID 104682762
N-[2-[(2-chloroacetyl)amino]ethyl]-2,5-dimethylfuran-3-carboxamide
CID 166429368
N-(3-chloropropyl)-2,5-dimethylfuran-3-carboxamide
CID 17165083
2-[(2,5-dimethylfuran-3-carbonyl)amino]ethyl-dimethylazanium
CID 7346584
N-(4-amino-2-methylbutyl)-2,5-dimethylfuran-3-carboxamide
CID 66089287
2,5-dimethyl-N-[2-methyl-3-(methylamino)propyl]furan-3-carboxamide
CID 81487603
N-(2-chloro-4,4-dimethylpentyl)-2,5-dimethylfuran-3-carboxamide
CID 107156842
N-[2-(4-tert-butylphenoxy)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 26662426

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4,4-dimethylpentyl)-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-(3-hydroxy-4,4-dimethylpentyl)-2,5-dimethylfuran-3-carboxamide (CID 71689766) is N-(3-hydroxy-4,4-dimethylpentyl)-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-(3-hydroxy-4,4-dimethylpentyl)-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-(3-hydroxy-4,4-dimethylpentyl)-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NCCC(O)C(C)(C)C)c(C)o1.
What is the InChIKey of N-(3-hydroxy-4,4-dimethylpentyl)-2,5-dimethylfuran-3-carboxamide?
The InChIKey is ZEUGHAJKIWUDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-9-8-11(10(2)18-9)13(17)15-7-6-12(16)14(3,4)5/h8,12,16H,6-7H2,1-5H3,(H,15,17).
What are the key properties of N-(3-hydroxy-4,4-dimethylpentyl)-2,5-dimethylfuran-3-carboxamide?
N-(3-hydroxy-4,4-dimethylpentyl)-2,5-dimethylfuran-3-carboxamide has a molecular weight of 253.34 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4,4-dimethylpentyl)-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 71689766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).