N-(3-ethyl-2-hydroxypentyl)-3,4-dihydro-2H-pyran-6-carboxamide

C13H23NO3 — CID 111664798

IUPACN-(3-ethyl-2-hydroxypentyl)-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCCC(CC)C(O)CNC(=O)C1=CCCCO1
InChIInChI=1S/C13H23NO3/c1-3-10(4-2)11(15)9-14-13(16)12-7-5-6-8-17-12/h7,10-11,15H,3-6,8-9H2,1-2H3,(H,14,16)
InChIKeyAGGPMJNQYWTWMB-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.59
Rot. Bonds6

About N-(3-ethyl-2-hydroxypentyl)-3,4-dihydro-2H-pyran-6-carboxamide

N-(3-ethyl-2-hydroxypentyl)-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 111664798) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-(3-ethyl-2-hydroxypentyl)-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound NameN-(3-ethyl-2-hydroxypentyl)-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID111664798
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC NameN-(3-ethyl-2-hydroxypentyl)-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCCC(CC)C(O)CNC(=O)C1=CCCCO1
InChIInChI=1S/C13H23NO3/c1-3-10(4-2)11(15)9-14-13(16)12-7-5-6-8-17-12/h7,10-11,15H,3-6,8-9H2,1-2H3,(H,14,16)
InChIKeyAGGPMJNQYWTWMB-UHFFFAOYSA-N
XLogP1.59
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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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Related Compounds

(E)-N-cyclohexyl-4-hydroxy-2-methoxyhept-2-enamide
CID 23260397
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-(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
3,4-dihydro-2H-pyran-6-yl-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023452
N-[(1-hydroxycyclopentyl)methyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 111538663
N-[3-(4-hydroxypiperidin-1-yl)propyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 111539072
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

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-hydroxypentyl)-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of N-(3-ethyl-2-hydroxypentyl)-3,4-dihydro-2H-pyran-6-carboxamide (CID 111664798) is N-(3-ethyl-2-hydroxypentyl)-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for N-(3-ethyl-2-hydroxypentyl)-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for N-(3-ethyl-2-hydroxypentyl)-3,4-dihydro-2H-pyran-6-carboxamide is CCC(CC)C(O)CNC(=O)C1=CCCCO1.
What is the InChIKey of N-(3-ethyl-2-hydroxypentyl)-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is AGGPMJNQYWTWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-3-10(4-2)11(15)9-14-13(16)12-7-5-6-8-17-12/h7,10-11,15H,3-6,8-9H2,1-2H3,(H,14,16).
What are the key properties of N-(3-ethyl-2-hydroxypentyl)-3,4-dihydro-2H-pyran-6-carboxamide?
N-(3-ethyl-2-hydroxypentyl)-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 241.33 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-hydroxypentyl)-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 111664798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).