N-(3-hydroxy-2,2,4-trimethylpentyl)-3,4-dihydro-2H-pyran-6-carboxamide

C14H25NO3 — CID 109381205

IUPACN-(3-hydroxy-2,2,4-trimethylpentyl)-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCC(C)C(O)C(C)(C)CNC(=O)C1=CCCCO1
InChIInChI=1S/C14H25NO3/c1-10(2)12(16)14(3,4)9-15-13(17)11-7-5-6-8-18-11/h7,10,12,16H,5-6,8-9H2,1-4H3,(H,15,17)
InChIKeyYPUFMLPEOFIMPH-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.84
Rot. Bonds5

About N-(3-hydroxy-2,2,4-trimethylpentyl)-3,4-dihydro-2H-pyran-6-carboxamide

N-(3-hydroxy-2,2,4-trimethylpentyl)-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 109381205) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-(3-hydroxy-2,2,4-trimethylpentyl)-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2,4-trimethylpentyl)-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID109381205
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC NameN-(3-hydroxy-2,2,4-trimethylpentyl)-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCC(C)C(O)C(C)(C)CNC(=O)C1=CCCCO1
InChIInChI=1S/C14H25NO3/c1-10(2)12(16)14(3,4)9-15-13(17)11-7-5-6-8-18-11/h7,10,12,16H,5-6,8-9H2,1-4H3,(H,15,17)
InChIKeyYPUFMLPEOFIMPH-UHFFFAOYSA-N
XLogP1.84
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-methoxy-3-methylbutyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 99813218
N-[(2R)-2-methoxy-3-methylbutyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 99813219
N-(2-methoxy-3-methylbutyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 102558787
N-(1-hydroxy-4,4-dimethylpentan-2-yl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 109943990
N-(2-hydroxy-2-propylpentyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 111539315
N-[(1-hydroxycyclobutyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 111539526
N-(3-hydroxy-4-methylpentyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 111540258
N-(2-ethyl-2-hydroxybutyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 111540468
N-[(2-hydroxycyclopentyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 111540635
N-(2-hydroxy-2,3-dimethylbutyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 111540832
N-(2-hydroxy-2,5-dimethylhexyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 111540861
N-(3-ethyl-2-hydroxypentyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 111664798

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2,4-trimethylpentyl)-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of N-(3-hydroxy-2,2,4-trimethylpentyl)-3,4-dihydro-2H-pyran-6-carboxamide (CID 109381205) is N-(3-hydroxy-2,2,4-trimethylpentyl)-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2,2,4-trimethylpentyl)-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for N-(3-hydroxy-2,2,4-trimethylpentyl)-3,4-dihydro-2H-pyran-6-carboxamide is CC(C)C(O)C(C)(C)CNC(=O)C1=CCCCO1.
What is the InChIKey of N-(3-hydroxy-2,2,4-trimethylpentyl)-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is YPUFMLPEOFIMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-10(2)12(16)14(3,4)9-15-13(17)11-7-5-6-8-18-11/h7,10,12,16H,5-6,8-9H2,1-4H3,(H,15,17).
What are the key properties of N-(3-hydroxy-2,2,4-trimethylpentyl)-3,4-dihydro-2H-pyran-6-carboxamide?
N-(3-hydroxy-2,2,4-trimethylpentyl)-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 255.36 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2,4-trimethylpentyl)-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 109381205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).