N-[5-ethyl-4-(1-hydroxy-2-methylpropan-2-yl)furan-2-yl]-2-methyl-2-(2-methylpiperidin-1-yl)propanamide

C20H34N2O3 — CID 91227549

IUPACN-[5-ethyl-4-(1-hydroxy-2-methylpropan-2-yl)furan-2-yl]-2-methyl-2-(2-methylpiperidin-1-yl)propanamide
SMILESCCc1oc(NC(=O)C(C)(C)N2CCCCC2C)cc1C(C)(C)CO
InChIInChI=1S/C20H34N2O3/c1-7-16-15(19(3,4)13-23)12-17(25-16)21-18(24)20(5,6)22-11-9-8-10-14(22)2/h12,14,23H,7-11,13H2,1-6H3,(H,21,24)
InChIKeyWNODHGWNIJCXLO-UHFFFAOYSA-N
MW350.50 g/mol
LogP3.70
Rot. Bonds6

About N-[5-ethyl-4-(1-hydroxy-2-methylpropan-2-yl)furan-2-yl]-2-methyl-2-(2-methylpiperidin-1-yl)propanamide

N-[5-ethyl-4-(1-hydroxy-2-methylpropan-2-yl)furan-2-yl]-2-methyl-2-(2-methylpiperidin-1-yl)propanamide (PubChem CID 91227549) has the molecular formula C20H34N2O3 and a molecular weight of 350.50 g/mol. Its IUPAC name is N-[5-ethyl-4-(1-hydroxy-2-methylpropan-2-yl)furan-2-yl]-2-methyl-2-(2-methylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[5-ethyl-4-(1-hydroxy-2-methylpropan-2-yl)furan-2-yl]-2-methyl-2-(2-methylpiperidin-1-yl)propanamide
PubChem CID91227549
Molecular FormulaC20H34N2O3
Molecular Weight350.50 g/mol
Exact Mass350.26
IUPAC NameN-[5-ethyl-4-(1-hydroxy-2-methylpropan-2-yl)furan-2-yl]-2-methyl-2-(2-methylpiperidin-1-yl)propanamide
SMILESCCc1oc(NC(=O)C(C)(C)N2CCCCC2C)cc1C(C)(C)CO
InChIInChI=1S/C20H34N2O3/c1-7-16-15(19(3,4)13-23)12-17(25-16)21-18(24)20(5,6)22-11-9-8-10-14(22)2/h12,14,23H,7-11,13H2,1-6H3,(H,21,24)
InChIKeyWNODHGWNIJCXLO-UHFFFAOYSA-N
XLogP3.70
TPSA65.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.50
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[5-ethyl-4-(1-hydroxy-2-methylpropan-2-yl)furan-2-yl]-2-methyl-2-(2-methylpiperidin-1-yl)propanamide 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 N-[5-ethyl-4-(1-hydroxy-2-methylpropan-2-yl)furan-2-yl]-2-methyl-2-(2-methylpiperidin-1-yl)propanamide?
The IUPAC name of N-[5-ethyl-4-(1-hydroxy-2-methylpropan-2-yl)furan-2-yl]-2-methyl-2-(2-methylpiperidin-1-yl)propanamide (CID 91227549) is N-[5-ethyl-4-(1-hydroxy-2-methylpropan-2-yl)furan-2-yl]-2-methyl-2-(2-methylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-[5-ethyl-4-(1-hydroxy-2-methylpropan-2-yl)furan-2-yl]-2-methyl-2-(2-methylpiperidin-1-yl)propanamide?
The canonical SMILES for N-[5-ethyl-4-(1-hydroxy-2-methylpropan-2-yl)furan-2-yl]-2-methyl-2-(2-methylpiperidin-1-yl)propanamide is CCc1oc(NC(=O)C(C)(C)N2CCCCC2C)cc1C(C)(C)CO.
What is the InChIKey of N-[5-ethyl-4-(1-hydroxy-2-methylpropan-2-yl)furan-2-yl]-2-methyl-2-(2-methylpiperidin-1-yl)propanamide?
The InChIKey is WNODHGWNIJCXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O3/c1-7-16-15(19(3,4)13-23)12-17(25-16)21-18(24)20(5,6)22-11-9-8-10-14(22)2/h12,14,23H,7-11,13H2,1-6H3,(H,21,24).
What are the key properties of N-[5-ethyl-4-(1-hydroxy-2-methylpropan-2-yl)furan-2-yl]-2-methyl-2-(2-methylpiperidin-1-yl)propanamide?
N-[5-ethyl-4-(1-hydroxy-2-methylpropan-2-yl)furan-2-yl]-2-methyl-2-(2-methylpiperidin-1-yl)propanamide has a molecular weight of 350.50 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-ethyl-4-(1-hydroxy-2-methylpropan-2-yl)furan-2-yl]-2-methyl-2-(2-methylpiperidin-1-yl)propanamide is sourced from PubChem (CID 91227549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).