N-(5-hydroxypentyl)-N,5-dimethyloxolane-2-carboxamide

C12H23NO3 — CID 107202647

IUPACN-(5-hydroxypentyl)-N,5-dimethyloxolane-2-carboxamide
SMILESCC1CCC(C(=O)N(C)CCCCCO)O1
InChIInChI=1S/C12H23NO3/c1-10-6-7-11(16-10)12(15)13(2)8-4-3-5-9-14/h10-11,14H,3-9H2,1-2H3
InChIKeyXOXPBZOZHCOXSU-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.17
Rot. Bonds6

About N-(5-hydroxypentyl)-N,5-dimethyloxolane-2-carboxamide

N-(5-hydroxypentyl)-N,5-dimethyloxolane-2-carboxamide (PubChem CID 107202647) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-N,5-dimethyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-N,5-dimethyloxolane-2-carboxamide
PubChem CID107202647
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC NameN-(5-hydroxypentyl)-N,5-dimethyloxolane-2-carboxamide
SMILESCC1CCC(C(=O)N(C)CCCCCO)O1
InChIInChI=1S/C12H23NO3/c1-10-6-7-11(16-10)12(15)13(2)8-4-3-5-9-14/h10-11,14H,3-9H2,1-2H3
InChIKeyXOXPBZOZHCOXSU-UHFFFAOYSA-N
XLogP1.17
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.17
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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Related Compounds

N-cyclopentyl-N-(2-hydroxyethyl)-5-methyloxolane-2-carboxamide
CID 81330576
N,5-dimethyl-N-(2-piperazin-1-ylethyl)oxolane-2-carboxamide
CID 81331120
N-(3-aminopropyl)-5-methyl-N-propan-2-yloxolane-2-carboxamide
CID 81325316
2-[2-[methyl-(5-methyloxolane-2-carbonyl)amino]ethyl]benzoic acid
CID 104547047
N-(5-hydroxypentyl)-N,4-dimethylpyrrolidine-3-carboxamide
CID 107199408
N-(1H-imidazol-2-ylmethyl)-N,5-dimethyloxolane-2-carboxamide
CID 81002280
N-methyl-N-octyloxirane-2-carboxamide
CID 176644736
N-(3-bromopropyl)-N-cyclobutyl-5-methyloxolane-2-carboxamide
CID 102872448
5-hydroxypentyl(methyl)carbamic acid
CID 90197062
N-[[2-(aminomethyl)phenyl]methyl]-N,5-dimethyloxolane-2-carboxamide
CID 81325003
(2R,5S)-5-[(4-methoxy-4-oxobutyl)-methylcarbamoyl]oxolane-2-carboxylic acid
CID 102944882
N-(5-hydroxypentyl)-N-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 107201961

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)-N,5-dimethyloxolane-2-carboxamide?
The IUPAC name of N-(5-hydroxypentyl)-N,5-dimethyloxolane-2-carboxamide (CID 107202647) is N-(5-hydroxypentyl)-N,5-dimethyloxolane-2-carboxamide.
What is the SMILES notation for N-(5-hydroxypentyl)-N,5-dimethyloxolane-2-carboxamide?
The canonical SMILES for N-(5-hydroxypentyl)-N,5-dimethyloxolane-2-carboxamide is CC1CCC(C(=O)N(C)CCCCCO)O1.
What is the InChIKey of N-(5-hydroxypentyl)-N,5-dimethyloxolane-2-carboxamide?
The InChIKey is XOXPBZOZHCOXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-10-6-7-11(16-10)12(15)13(2)8-4-3-5-9-14/h10-11,14H,3-9H2,1-2H3.
What are the key properties of N-(5-hydroxypentyl)-N,5-dimethyloxolane-2-carboxamide?
N-(5-hydroxypentyl)-N,5-dimethyloxolane-2-carboxamide has a molecular weight of 229.32 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-N,5-dimethyloxolane-2-carboxamide is sourced from PubChem (CID 107202647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).