N-(4-hydroxy-3-methylbutan-2-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide

C16H25NO3 — CID 115771031

IUPACN-(4-hydroxy-3-methylbutan-2-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
SMILESCC(CO)C(C)NC(=O)CCc1ccc(C2CC2C)o1
InChIInChI=1S/C16H25NO3/c1-10-8-14(10)15-6-4-13(20-15)5-7-16(19)17-12(3)11(2)9-18/h4,6,10-12,14,18H,5,7-9H2,1-3H3,(H,17,19)
InChIKeyPWBHTBHMKZUWFX-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.47
Rot. Bonds7

About N-(4-hydroxy-3-methylbutan-2-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide

N-(4-hydroxy-3-methylbutan-2-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide (PubChem CID 115771031) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-(4-hydroxy-3-methylbutan-2-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-methylbutan-2-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
PubChem CID115771031
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN-(4-hydroxy-3-methylbutan-2-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
SMILESCC(CO)C(C)NC(=O)CCc1ccc(C2CC2C)o1
InChIInChI=1S/C16H25NO3/c1-10-8-14(10)15-6-4-13(20-15)5-7-16(19)17-12(3)11(2)9-18/h4,6,10-12,14,18H,5,7-9H2,1-3H3,(H,17,19)
InChIKeyPWBHTBHMKZUWFX-UHFFFAOYSA-N
XLogP2.47
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-methylbutan-2-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide?
The IUPAC name of N-(4-hydroxy-3-methylbutan-2-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide (CID 115771031) is N-(4-hydroxy-3-methylbutan-2-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide.
What is the SMILES notation for N-(4-hydroxy-3-methylbutan-2-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide?
The canonical SMILES for N-(4-hydroxy-3-methylbutan-2-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide is CC(CO)C(C)NC(=O)CCc1ccc(C2CC2C)o1.
What is the InChIKey of N-(4-hydroxy-3-methylbutan-2-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide?
The InChIKey is PWBHTBHMKZUWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-10-8-14(10)15-6-4-13(20-15)5-7-16(19)17-12(3)11(2)9-18/h4,6,10-12,14,18H,5,7-9H2,1-3H3,(H,17,19).
What are the key properties of N-(4-hydroxy-3-methylbutan-2-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide?
N-(4-hydroxy-3-methylbutan-2-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide has a molecular weight of 279.38 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-methylbutan-2-yl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide is sourced from PubChem (CID 115771031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).