N-(oxan-4-yl)oxolane-2-carboxamide

C10H17NO3 — CID 110726803

IUPACN-(oxan-4-yl)oxolane-2-carboxamide
SMILESO=C(NC1CCOCC1)C1CCCO1
InChIInChI=1S/C10H17NO3/c12-10(9-2-1-5-14-9)11-8-3-6-13-7-4-8/h8-9H,1-7H2,(H,11,12)
InChIKeyGETMBBWUGCCTHO-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.46
Rot. Bonds2

About N-(oxan-4-yl)oxolane-2-carboxamide

N-(oxan-4-yl)oxolane-2-carboxamide (PubChem CID 110726803) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is N-(oxan-4-yl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(oxan-4-yl)oxolane-2-carboxamide
PubChem CID110726803
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC NameN-(oxan-4-yl)oxolane-2-carboxamide
SMILESO=C(NC1CCOCC1)C1CCCO1
InChIInChI=1S/C10H17NO3/c12-10(9-2-1-5-14-9)11-8-3-6-13-7-4-8/h8-9H,1-7H2,(H,11,12)
InChIKeyGETMBBWUGCCTHO-UHFFFAOYSA-N
XLogP0.46
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-cyclopropyloxolane-2-carboxamide
CID 40569533
(2S)-N-cyclopentyloxolane-2-carboxamide
CID 7368997
(2R)-N-cyclopentyloxolane-2-carboxamide
CID 7368998
(2S)-N-[4-(methylamino)cyclohexyl]oxolane-2-carboxamide
CID 93256529
(2R)-N-[4-(methylamino)cyclohexyl]oxolane-2-carboxamide
CID 93256530
(2S)-N-(azetidin-3-yl)oxolane-2-carboxamide
CID 104856358
oxalic acid;(2R)-N-piperidin-4-yloxolane-2-carboxamide
CID 67099288
N-(4-bromocyclohexyl)oxane-2-carboxamide
CID 114308956
3-(oxolane-2-carbonylamino)cyclopentane-1-carboxylic acid
CID 66032104
N-[4-(propylamino)cyclohexyl]oxolane-2-carboxamide
CID 43653441
N-[4-(2-methylbutan-2-yl)cyclohexyl]oxolane-2-carboxamide
CID 17191152
N-(7-oxaspiro[3.5]nonan-3-yl)oxolane-2-carboxamide
CID 122276279

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)oxolane-2-carboxamide?
The IUPAC name of N-(oxan-4-yl)oxolane-2-carboxamide (CID 110726803) is N-(oxan-4-yl)oxolane-2-carboxamide.
What is the SMILES notation for N-(oxan-4-yl)oxolane-2-carboxamide?
The canonical SMILES for N-(oxan-4-yl)oxolane-2-carboxamide is O=C(NC1CCOCC1)C1CCCO1.
What is the InChIKey of N-(oxan-4-yl)oxolane-2-carboxamide?
The InChIKey is GETMBBWUGCCTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c12-10(9-2-1-5-14-9)11-8-3-6-13-7-4-8/h8-9H,1-7H2,(H,11,12).
What are the key properties of N-(oxan-4-yl)oxolane-2-carboxamide?
N-(oxan-4-yl)oxolane-2-carboxamide has a molecular weight of 199.25 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)oxolane-2-carboxamide is sourced from PubChem (CID 110726803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).