ethane;4-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]oxane-4-carboxamide

C14H28N2O2 — CID 143188581

IUPACethane;4-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]oxane-4-carboxamide
SMILESCC.CC1(C(=O)NC[C@H]2CCCN2)CCOCC1
InChIInChI=1S/C12H22N2O2.C2H6/c1-12(4-7-16-8-5-12)11(15)14-9-10-3-2-6-13-10;1-2/h10,13H,2-9H2,1H3,(H,14,15);1-2H3/t10-;/m1./s1
InChIKeyLWOUVMGIQHSRMB-HNCPQSOCSA-N
MW256.39 g/mol
LogP1.70
Rot. Bonds3

About ethane;4-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]oxane-4-carboxamide

ethane;4-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]oxane-4-carboxamide (PubChem CID 143188581) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is ethane;4-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]oxane-4-carboxamide.

Molecular Properties

Compound Nameethane;4-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]oxane-4-carboxamide
PubChem CID143188581
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Nameethane;4-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]oxane-4-carboxamide
SMILESCC.CC1(C(=O)NC[C@H]2CCCN2)CCOCC1
InChIInChI=1S/C12H22N2O2.C2H6/c1-12(4-7-16-8-5-12)11(15)14-9-10-3-2-6-13-10;1-2/h10,13H,2-9H2,1H3,(H,14,15);1-2H3/t10-;/m1./s1
InChIKeyLWOUVMGIQHSRMB-HNCPQSOCSA-N
XLogP1.70
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]oxane-4-carboxamide?
The IUPAC name of ethane;4-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]oxane-4-carboxamide (CID 143188581) is ethane;4-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]oxane-4-carboxamide.
What is the SMILES notation for ethane;4-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]oxane-4-carboxamide?
The canonical SMILES for ethane;4-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]oxane-4-carboxamide is CC.CC1(C(=O)NC[C@H]2CCCN2)CCOCC1.
What is the InChIKey of ethane;4-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]oxane-4-carboxamide?
The InChIKey is LWOUVMGIQHSRMB-HNCPQSOCSA-N. The full InChI is InChI=1S/C12H22N2O2.C2H6/c1-12(4-7-16-8-5-12)11(15)14-9-10-3-2-6-13-10;1-2/h10,13H,2-9H2,1H3,(H,14,15);1-2H3/t10-;/m1./s1.
What are the key properties of ethane;4-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]oxane-4-carboxamide?
ethane;4-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]oxane-4-carboxamide has a molecular weight of 256.39 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]oxane-4-carboxamide is sourced from PubChem (CID 143188581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).