N-[3-(2-hydroxyethoxy)propyl]-2,4,5-trimethyloxolane-3-carboxamide

C13H25NO4 — CID 114171186

IUPACN-[3-(2-hydroxyethoxy)propyl]-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)NCCCOCCO)C1C
InChIInChI=1S/C13H25NO4/c1-9-10(2)18-11(3)12(9)13(16)14-5-4-7-17-8-6-15/h9-12,15H,4-8H2,1-3H3,(H,14,16)
InChIKeyCEXICHNVYCNLCD-UHFFFAOYSA-N
MW259.35 g/mol
LogP0.56
Rot. Bonds7

About N-[3-(2-hydroxyethoxy)propyl]-2,4,5-trimethyloxolane-3-carboxamide

N-[3-(2-hydroxyethoxy)propyl]-2,4,5-trimethyloxolane-3-carboxamide (PubChem CID 114171186) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[3-(2-hydroxyethoxy)propyl]-2,4,5-trimethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-hydroxyethoxy)propyl]-2,4,5-trimethyloxolane-3-carboxamide
PubChem CID114171186
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC NameN-[3-(2-hydroxyethoxy)propyl]-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)NCCCOCCO)C1C
InChIInChI=1S/C13H25NO4/c1-9-10(2)18-11(3)12(9)13(16)14-5-4-7-17-8-6-15/h9-12,15H,4-8H2,1-3H3,(H,14,16)
InChIKeyCEXICHNVYCNLCD-UHFFFAOYSA-N
XLogP0.56
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 65152615
N-[2-(3-hydroxypropylsulfanyl)ethyl]-2,4,5-trimethyloxolane-3-carboxamide
CID 106306241
2,4,5-trimethyl-N-(3-sulfamoylpropyl)oxolane-3-carboxamide
CID 65159364
N-(5-amino-5-sulfanylidenepentyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 65155720
N-(3-azidopropyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 65159571
N-ethyl-2,4,5-trimethyloxolane-3-carboxamide
CID 65155196
2,4,5-trimethyl-N-[2-(propylamino)ethyl]oxolane-3-carboxamide
CID 65160186
N-(3-bromo-4-methoxybutyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 106245062
N-(3-hydroxy-2-methylpropyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 65160276
4-amino-N-[3-(2-hydroxyethoxy)propyl]cyclohexane-1-carboxamide
CID 106310576
6-[3-(2-hydroxyethoxy)propylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 106305133
(1S,6R)-6-[3-(2-hydroxyethoxy)propylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 114171113

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-hydroxyethoxy)propyl]-2,4,5-trimethyloxolane-3-carboxamide?
The IUPAC name of N-[3-(2-hydroxyethoxy)propyl]-2,4,5-trimethyloxolane-3-carboxamide (CID 114171186) is N-[3-(2-hydroxyethoxy)propyl]-2,4,5-trimethyloxolane-3-carboxamide.
What is the SMILES notation for N-[3-(2-hydroxyethoxy)propyl]-2,4,5-trimethyloxolane-3-carboxamide?
The canonical SMILES for N-[3-(2-hydroxyethoxy)propyl]-2,4,5-trimethyloxolane-3-carboxamide is CC1OC(C)C(C(=O)NCCCOCCO)C1C.
What is the InChIKey of N-[3-(2-hydroxyethoxy)propyl]-2,4,5-trimethyloxolane-3-carboxamide?
The InChIKey is CEXICHNVYCNLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-9-10(2)18-11(3)12(9)13(16)14-5-4-7-17-8-6-15/h9-12,15H,4-8H2,1-3H3,(H,14,16).
What are the key properties of N-[3-(2-hydroxyethoxy)propyl]-2,4,5-trimethyloxolane-3-carboxamide?
N-[3-(2-hydroxyethoxy)propyl]-2,4,5-trimethyloxolane-3-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 0.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-hydroxyethoxy)propyl]-2,4,5-trimethyloxolane-3-carboxamide is sourced from PubChem (CID 114171186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).