N-(2-hydroxy-4-methylpentyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide

C13H23NO3 — CID 102553657

IUPACN-(2-hydroxy-4-methylpentyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide
SMILESCC1=C(C(=O)NCC(O)CC(C)C)CCCO1
InChIInChI=1S/C13H23NO3/c1-9(2)7-11(15)8-14-13(16)12-5-4-6-17-10(12)3/h9,11,15H,4-8H2,1-3H3,(H,14,16)
InChIKeyGAHLBDSHUWZTCY-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.59
Rot. Bonds5

About N-(2-hydroxy-4-methylpentyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide

N-(2-hydroxy-4-methylpentyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide (PubChem CID 102553657) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylpentyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylpentyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide
PubChem CID102553657
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC NameN-(2-hydroxy-4-methylpentyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide
SMILESCC1=C(C(=O)NCC(O)CC(C)C)CCCO1
InChIInChI=1S/C13H23NO3/c1-9(2)7-11(15)8-14-13(16)12-5-4-6-17-10(12)3/h9,11,15H,4-8H2,1-3H3,(H,14,16)
InChIKeyGAHLBDSHUWZTCY-UHFFFAOYSA-N
XLogP1.59
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylpentyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide?
The IUPAC name of N-(2-hydroxy-4-methylpentyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide (CID 102553657) is N-(2-hydroxy-4-methylpentyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide.
What is the SMILES notation for N-(2-hydroxy-4-methylpentyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide?
The canonical SMILES for N-(2-hydroxy-4-methylpentyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide is CC1=C(C(=O)NCC(O)CC(C)C)CCCO1.
What is the InChIKey of N-(2-hydroxy-4-methylpentyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide?
The InChIKey is GAHLBDSHUWZTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-9(2)7-11(15)8-14-13(16)12-5-4-6-17-10(12)3/h9,11,15H,4-8H2,1-3H3,(H,14,16).
What are the key properties of N-(2-hydroxy-4-methylpentyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide?
N-(2-hydroxy-4-methylpentyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide has a molecular weight of 241.33 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methylpentyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide is sourced from PubChem (CID 102553657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).