N-[(4-hydroxyoxan-4-yl)methyl]oxolane-3-carboxamide

C11H19NO4 — CID 79039521

IUPACN-[(4-hydroxyoxan-4-yl)methyl]oxolane-3-carboxamide
SMILESO=C(NCC1(O)CCOCC1)C1CCOC1
InChIInChI=1S/C11H19NO4/c13-10(9-1-4-16-7-9)12-8-11(14)2-5-15-6-3-11/h9,14H,1-8H2,(H,12,13)
InChIKeyCXEDCXGZBSRQQP-UHFFFAOYSA-N
MW229.28 g/mol
LogP-0.32
Rot. Bonds3

About N-[(4-hydroxyoxan-4-yl)methyl]oxolane-3-carboxamide

N-[(4-hydroxyoxan-4-yl)methyl]oxolane-3-carboxamide (PubChem CID 79039521) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is N-[(4-hydroxyoxan-4-yl)methyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxyoxan-4-yl)methyl]oxolane-3-carboxamide
PubChem CID79039521
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC NameN-[(4-hydroxyoxan-4-yl)methyl]oxolane-3-carboxamide
SMILESO=C(NCC1(O)CCOCC1)C1CCOC1
InChIInChI=1S/C11H19NO4/c13-10(9-1-4-16-7-9)12-8-11(14)2-5-15-6-3-11/h9,14H,1-8H2,(H,12,13)
InChIKeyCXEDCXGZBSRQQP-UHFFFAOYSA-N
XLogP-0.32
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]oxolane-3-carboxamide
CID 95325025
methyl 4-hydroxy-4-[(oxolane-3-carbonylamino)methyl]cyclohexane-1-carboxylate
CID 112535165
N-[(6-hydroxy-1,4-dithiepan-6-yl)methyl]oxolane-3-carboxamide
CID 146074749
N-[[1-(chloromethyl)cyclohexyl]methyl]oxolane-3-carboxamide
CID 103969555
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]oxolane-3-carboxamide
CID 107301644
(1R)-N-[(4-hydroxyoxan-4-yl)methyl]cyclohex-3-ene-1-carboxamide
CID 95986197
N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]oxane-3-carboxamide
CID 111115377
N-[(4-hydroxyoxan-4-yl)methyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 79209200
N-[[1-(2-aminoethyl)cyclopropyl]methyl]oxolane-3-carboxamide
CID 114758784
N-[(4-chlorocyclohexyl)methyl]oxolane-3-carboxamide
CID 106133423
N-(2-amino-2-sulfanylideneethyl)oxolane-3-carboxamide
CID 61276568
N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 126987345

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]oxolane-3-carboxamide?
The IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]oxolane-3-carboxamide (CID 79039521) is N-[(4-hydroxyoxan-4-yl)methyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[(4-hydroxyoxan-4-yl)methyl]oxolane-3-carboxamide?
The canonical SMILES for N-[(4-hydroxyoxan-4-yl)methyl]oxolane-3-carboxamide is O=C(NCC1(O)CCOCC1)C1CCOC1.
What is the InChIKey of N-[(4-hydroxyoxan-4-yl)methyl]oxolane-3-carboxamide?
The InChIKey is CXEDCXGZBSRQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c13-10(9-1-4-16-7-9)12-8-11(14)2-5-15-6-3-11/h9,14H,1-8H2,(H,12,13).
What are the key properties of N-[(4-hydroxyoxan-4-yl)methyl]oxolane-3-carboxamide?
N-[(4-hydroxyoxan-4-yl)methyl]oxolane-3-carboxamide has a molecular weight of 229.28 g/mol, XLogP of -0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyoxan-4-yl)methyl]oxolane-3-carboxamide is sourced from PubChem (CID 79039521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).