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

C17H27NO3 — CID 103862369

IUPACN-(5-hydroxy-4-methylpentyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
SMILESCC(CO)CCCNC(=O)CCc1ccc(C2CC2C)o1
InChIInChI=1S/C17H27NO3/c1-12(11-19)4-3-9-18-17(20)8-6-14-5-7-16(21-14)15-10-13(15)2/h5,7,12-13,15,19H,3-4,6,8-11H2,1-2H3,(H,18,20)
InChIKeyMQQSGMSHQIYJMB-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.86
Rot. Bonds9

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

N-(5-hydroxy-4-methylpentyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide (PubChem CID 103862369) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-(5-hydroxy-4-methylpentyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide.

Molecular Properties

Compound NameN-(5-hydroxy-4-methylpentyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
PubChem CID103862369
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN-(5-hydroxy-4-methylpentyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide
SMILESCC(CO)CCCNC(=O)CCc1ccc(C2CC2C)o1
InChIInChI=1S/C17H27NO3/c1-12(11-19)4-3-9-18-17(20)8-6-14-5-7-16(21-14)15-10-13(15)2/h5,7,12-13,15,19H,3-4,6,8-11H2,1-2H3,(H,18,20)
InChIKeyMQQSGMSHQIYJMB-UHFFFAOYSA-N
XLogP2.86
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-4-methylpentyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide?
The IUPAC name of N-(5-hydroxy-4-methylpentyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide (CID 103862369) is N-(5-hydroxy-4-methylpentyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide.
What is the SMILES notation for N-(5-hydroxy-4-methylpentyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide?
The canonical SMILES for N-(5-hydroxy-4-methylpentyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide is CC(CO)CCCNC(=O)CCc1ccc(C2CC2C)o1.
What is the InChIKey of N-(5-hydroxy-4-methylpentyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide?
The InChIKey is MQQSGMSHQIYJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-12(11-19)4-3-9-18-17(20)8-6-14-5-7-16(21-14)15-10-13(15)2/h5,7,12-13,15,19H,3-4,6,8-11H2,1-2H3,(H,18,20).
What are the key properties of N-(5-hydroxy-4-methylpentyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide?
N-(5-hydroxy-4-methylpentyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide has a molecular weight of 293.41 g/mol, XLogP of 2.86, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-4-methylpentyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]propanamide is sourced from PubChem (CID 103862369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).