N-(2-hydroxyethyl)-N-pentyl-3,4-dihydro-2H-pyran-6-carboxamide

C13H23NO3 — CID 100909122

IUPACN-(2-hydroxyethyl)-N-pentyl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCCCCCN(CCO)C(=O)C1=CCCCO1
InChIInChI=1S/C13H23NO3/c1-2-3-5-8-14(9-10-15)13(16)12-7-4-6-11-17-12/h7,15H,2-6,8-11H2,1H3
InChIKeyBTYDYTYOTYZLLM-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.69
Rot. Bonds7

About N-(2-hydroxyethyl)-N-pentyl-3,4-dihydro-2H-pyran-6-carboxamide

N-(2-hydroxyethyl)-N-pentyl-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 100909122) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-pentyl-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-pentyl-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID100909122
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC NameN-(2-hydroxyethyl)-N-pentyl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCCCCCN(CCO)C(=O)C1=CCCCO1
InChIInChI=1S/C13H23NO3/c1-2-3-5-8-14(9-10-15)13(16)12-7-4-6-11-17-12/h7,15H,2-6,8-11H2,1H3
InChIKeyBTYDYTYOTYZLLM-UHFFFAOYSA-N
XLogP1.69
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-pentyl-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-pentyl-3,4-dihydro-2H-pyran-6-carboxamide (CID 100909122) is N-(2-hydroxyethyl)-N-pentyl-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-pentyl-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-pentyl-3,4-dihydro-2H-pyran-6-carboxamide is CCCCCN(CCO)C(=O)C1=CCCCO1.
What is the InChIKey of N-(2-hydroxyethyl)-N-pentyl-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is BTYDYTYOTYZLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-2-3-5-8-14(9-10-15)13(16)12-7-4-6-11-17-12/h7,15H,2-6,8-11H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-N-pentyl-3,4-dihydro-2H-pyran-6-carboxamide?
N-(2-hydroxyethyl)-N-pentyl-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 241.33 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-pentyl-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 100909122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).