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

C14H25NO3 — CID 111539315

IUPACN-(2-hydroxy-2-propylpentyl)-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCCCC(O)(CCC)CNC(=O)C1=CCCCO1
InChIInChI=1S/C14H25NO3/c1-3-8-14(17,9-4-2)11-15-13(16)12-7-5-6-10-18-12/h7,17H,3-6,8-11H2,1-2H3,(H,15,16)
InChIKeyBVCPLLMXRKUQGQ-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.13
Rot. Bonds7

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

N-(2-hydroxy-2-propylpentyl)-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 111539315) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-(2-hydroxy-2-propylpentyl)-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-propylpentyl)-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID111539315
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC NameN-(2-hydroxy-2-propylpentyl)-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCCCC(O)(CCC)CNC(=O)C1=CCCCO1
InChIInChI=1S/C14H25NO3/c1-3-8-14(17,9-4-2)11-15-13(16)12-7-5-6-10-18-12/h7,17H,3-6,8-11H2,1-2H3,(H,15,16)
InChIKeyBVCPLLMXRKUQGQ-UHFFFAOYSA-N
XLogP2.13
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxy-2,2,4-trimethylpentyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 109381205
N-(1-hydroxy-4,4-dimethylpentan-2-yl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 109943990
N-[(1-hydroxycyclopentyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 111538663
N-[(1-hydroxycyclobutyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 111539526
N-[(1-hydroxycyclohexyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 111539873
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-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
N-(4-hydroxy-2,2-dimethylpentyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 112113940
N-(2-hydroxypentyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 112295462

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-propylpentyl)-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of N-(2-hydroxy-2-propylpentyl)-3,4-dihydro-2H-pyran-6-carboxamide (CID 111539315) is N-(2-hydroxy-2-propylpentyl)-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-propylpentyl)-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-propylpentyl)-3,4-dihydro-2H-pyran-6-carboxamide is CCCC(O)(CCC)CNC(=O)C1=CCCCO1.
What is the InChIKey of N-(2-hydroxy-2-propylpentyl)-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is BVCPLLMXRKUQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-3-8-14(17,9-4-2)11-15-13(16)12-7-5-6-10-18-12/h7,17H,3-6,8-11H2,1-2H3,(H,15,16).
What are the key properties of N-(2-hydroxy-2-propylpentyl)-3,4-dihydro-2H-pyran-6-carboxamide?
N-(2-hydroxy-2-propylpentyl)-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 255.36 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-propylpentyl)-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 111539315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).