N-(2-hydroxy-2-methylpentyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide

C17H27NO3 — CID 103713210

IUPACN-(2-hydroxy-2-methylpentyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
SMILESCCCC(C)(O)CNC(=O)CCc1ccc(C2CC2C)o1
InChIInChI=1S/C17H27NO3/c1-4-9-17(3,20)11-18-16(19)8-6-13-5-7-15(21-13)14-10-12(14)2/h5,7,12,14,20H,4,6,8-11H2,1-3H3,(H,18,19)
InChIKeyOCEODHWXKLCHGX-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.00
Rot. Bonds8

About N-(2-hydroxy-2-methylpentyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide

N-(2-hydroxy-2-methylpentyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide (PubChem CID 103713210) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpentyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpentyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
PubChem CID103713210
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN-(2-hydroxy-2-methylpentyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
SMILESCCCC(C)(O)CNC(=O)CCc1ccc(C2CC2C)o1
InChIInChI=1S/C17H27NO3/c1-4-9-17(3,20)11-18-16(19)8-6-13-5-7-15(21-13)14-10-12(14)2/h5,7,12,14,20H,4,6,8-11H2,1-3H3,(H,18,19)
InChIKeyOCEODHWXKLCHGX-UHFFFAOYSA-N
XLogP3.00
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpentyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide?
The IUPAC name of N-(2-hydroxy-2-methylpentyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide (CID 103713210) is N-(2-hydroxy-2-methylpentyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpentyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide?
The canonical SMILES for N-(2-hydroxy-2-methylpentyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide is CCCC(C)(O)CNC(=O)CCc1ccc(C2CC2C)o1.
What is the InChIKey of N-(2-hydroxy-2-methylpentyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide?
The InChIKey is OCEODHWXKLCHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-4-9-17(3,20)11-18-16(19)8-6-13-5-7-15(21-13)14-10-12(14)2/h5,7,12,14,20H,4,6,8-11H2,1-3H3,(H,18,19).
What are the key properties of N-(2-hydroxy-2-methylpentyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide?
N-(2-hydroxy-2-methylpentyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide has a molecular weight of 293.41 g/mol, XLogP of 3.00, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpentyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide is sourced from PubChem (CID 103713210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).