N-[(2-hydroxy-1-methylcyclohexyl)methyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide

C15H25NO3 — CID 109478199

IUPACN-[(2-hydroxy-1-methylcyclohexyl)methyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide
SMILESCC1=C(C(=O)NCC2(C)CCCCC2O)CCCO1
InChIInChI=1S/C15H25NO3/c1-11-12(6-5-9-19-11)14(18)16-10-15(2)8-4-3-7-13(15)17/h13,17H,3-10H2,1-2H3,(H,16,18)
InChIKeyQMPHHZGUWVIFNS-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.13
Rot. Bonds3

About N-[(2-hydroxy-1-methylcyclohexyl)methyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide

N-[(2-hydroxy-1-methylcyclohexyl)methyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide (PubChem CID 109478199) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[(2-hydroxy-1-methylcyclohexyl)methyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxy-1-methylcyclohexyl)methyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide
PubChem CID109478199
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC NameN-[(2-hydroxy-1-methylcyclohexyl)methyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide
SMILESCC1=C(C(=O)NCC2(C)CCCCC2O)CCCO1
InChIInChI=1S/C15H25NO3/c1-11-12(6-5-9-19-11)14(18)16-10-15(2)8-4-3-7-13(15)17/h13,17H,3-10H2,1-2H3,(H,16,18)
InChIKeyQMPHHZGUWVIFNS-UHFFFAOYSA-N
XLogP2.13
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-1-methylcyclohexyl)methyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide?
The IUPAC name of N-[(2-hydroxy-1-methylcyclohexyl)methyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide (CID 109478199) is N-[(2-hydroxy-1-methylcyclohexyl)methyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide.
What is the SMILES notation for N-[(2-hydroxy-1-methylcyclohexyl)methyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide?
The canonical SMILES for N-[(2-hydroxy-1-methylcyclohexyl)methyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide is CC1=C(C(=O)NCC2(C)CCCCC2O)CCCO1.
What is the InChIKey of N-[(2-hydroxy-1-methylcyclohexyl)methyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide?
The InChIKey is QMPHHZGUWVIFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-11-12(6-5-9-19-11)14(18)16-10-15(2)8-4-3-7-13(15)17/h13,17H,3-10H2,1-2H3,(H,16,18).
What are the key properties of N-[(2-hydroxy-1-methylcyclohexyl)methyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide?
N-[(2-hydroxy-1-methylcyclohexyl)methyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide has a molecular weight of 267.37 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-1-methylcyclohexyl)methyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide is sourced from PubChem (CID 109478199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).