N-methyl-N-[1-(5-phenylpyrazolidin-3-yl)ethyl]oxane-4-carboxamide

C18H27N3O2 — CID 133108407

IUPACN-methyl-N-[1-(5-phenylpyrazolidin-3-yl)ethyl]oxane-4-carboxamide
SMILESCC(C1CC(c2ccccc2)NN1)N(C)C(=O)C1CCOCC1
InChIInChI=1S/C18H27N3O2/c1-13(21(2)18(22)15-8-10-23-11-9-15)16-12-17(20-19-16)14-6-4-3-5-7-14/h3-7,13,15-17,19-20H,8-12H2,1-2H3
InChIKeyCWOWVGOBANJBMX-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.87
Rot. Bonds4

About N-methyl-N-[1-(5-phenylpyrazolidin-3-yl)ethyl]oxane-4-carboxamide

N-methyl-N-[1-(5-phenylpyrazolidin-3-yl)ethyl]oxane-4-carboxamide (PubChem CID 133108407) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-methyl-N-[1-(5-phenylpyrazolidin-3-yl)ethyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[1-(5-phenylpyrazolidin-3-yl)ethyl]oxane-4-carboxamide
PubChem CID133108407
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-methyl-N-[1-(5-phenylpyrazolidin-3-yl)ethyl]oxane-4-carboxamide
SMILESCC(C1CC(c2ccccc2)NN1)N(C)C(=O)C1CCOCC1
InChIInChI=1S/C18H27N3O2/c1-13(21(2)18(22)15-8-10-23-11-9-15)16-12-17(20-19-16)14-6-4-3-5-7-14/h3-7,13,15-17,19-20H,8-12H2,1-2H3
InChIKeyCWOWVGOBANJBMX-UHFFFAOYSA-N
XLogP1.87
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(5-phenylpyrazolidin-3-yl)ethyl]oxane-4-carboxamide?
The IUPAC name of N-methyl-N-[1-(5-phenylpyrazolidin-3-yl)ethyl]oxane-4-carboxamide (CID 133108407) is N-methyl-N-[1-(5-phenylpyrazolidin-3-yl)ethyl]oxane-4-carboxamide.
What is the SMILES notation for N-methyl-N-[1-(5-phenylpyrazolidin-3-yl)ethyl]oxane-4-carboxamide?
The canonical SMILES for N-methyl-N-[1-(5-phenylpyrazolidin-3-yl)ethyl]oxane-4-carboxamide is CC(C1CC(c2ccccc2)NN1)N(C)C(=O)C1CCOCC1.
What is the InChIKey of N-methyl-N-[1-(5-phenylpyrazolidin-3-yl)ethyl]oxane-4-carboxamide?
The InChIKey is CWOWVGOBANJBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-13(21(2)18(22)15-8-10-23-11-9-15)16-12-17(20-19-16)14-6-4-3-5-7-14/h3-7,13,15-17,19-20H,8-12H2,1-2H3.
What are the key properties of N-methyl-N-[1-(5-phenylpyrazolidin-3-yl)ethyl]oxane-4-carboxamide?
N-methyl-N-[1-(5-phenylpyrazolidin-3-yl)ethyl]oxane-4-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(5-phenylpyrazolidin-3-yl)ethyl]oxane-4-carboxamide is sourced from PubChem (CID 133108407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).