5-tert-butyl-N-[2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]-2-methylfuran-3-carboxamide

C17H27NO5 — CID 162792864

IUPAC5-tert-butyl-N-[2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]-2-methylfuran-3-carboxamide
SMILESCOCC1CC(NC(=O)c2cc(C(C)(C)C)oc2C)C(O)C1O
InChIInChI=1S/C17H27NO5/c1-9-11(7-13(23-9)17(2,3)4)16(21)18-12-6-10(8-22-5)14(19)15(12)20/h7,10,12,14-15,19-20H,6,8H2,1-5H3,(H,18,21)
InChIKeyQRGAIUBMWSRIBD-UHFFFAOYSA-N
MW325.41 g/mol
LogP1.37
Rot. Bonds4

About 5-tert-butyl-N-[2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]-2-methylfuran-3-carboxamide

5-tert-butyl-N-[2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]-2-methylfuran-3-carboxamide (PubChem CID 162792864) has the molecular formula C17H27NO5 and a molecular weight of 325.41 g/mol. Its IUPAC name is 5-tert-butyl-N-[2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-[2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]-2-methylfuran-3-carboxamide
PubChem CID162792864
Molecular FormulaC17H27NO5
Molecular Weight325.41 g/mol
Exact Mass325.19
IUPAC Name5-tert-butyl-N-[2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]-2-methylfuran-3-carboxamide
SMILESCOCC1CC(NC(=O)c2cc(C(C)(C)C)oc2C)C(O)C1O
InChIInChI=1S/C17H27NO5/c1-9-11(7-13(23-9)17(2,3)4)16(21)18-12-6-10(8-22-5)14(19)15(12)20/h7,10,12,14-15,19-20H,6,8H2,1-5H3,(H,18,21)
InChIKeyQRGAIUBMWSRIBD-UHFFFAOYSA-N
XLogP1.37
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-tert-butyl-N-[2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]-2-methylfuran-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

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]-2-methylfuran-3-carboxamide?
The IUPAC name of 5-tert-butyl-N-[2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]-2-methylfuran-3-carboxamide (CID 162792864) is 5-tert-butyl-N-[2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-[2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for 5-tert-butyl-N-[2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]-2-methylfuran-3-carboxamide is COCC1CC(NC(=O)c2cc(C(C)(C)C)oc2C)C(O)C1O.
What is the InChIKey of 5-tert-butyl-N-[2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]-2-methylfuran-3-carboxamide?
The InChIKey is QRGAIUBMWSRIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO5/c1-9-11(7-13(23-9)17(2,3)4)16(21)18-12-6-10(8-22-5)14(19)15(12)20/h7,10,12,14-15,19-20H,6,8H2,1-5H3,(H,18,21).
What are the key properties of 5-tert-butyl-N-[2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]-2-methylfuran-3-carboxamide?
5-tert-butyl-N-[2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]-2-methylfuran-3-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 1.37, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 162792864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).