N-cyclohexyl-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide

C16H26N2O3 — CID 90567812

IUPACN-cyclohexyl-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NC1CCCCC1)C1CC(=O)N(C2CCOCC2)C1
InChIInChI=1S/C16H26N2O3/c19-15-10-12(11-18(15)14-6-8-21-9-7-14)16(20)17-13-4-2-1-3-5-13/h12-14H,1-11H2,(H,17,20)
InChIKeyDRDAKQNDRZRMBF-UHFFFAOYSA-N
MW294.39 g/mol
LogP1.46
Rot. Bonds3

About N-cyclohexyl-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide

N-cyclohexyl-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 90567812) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is N-cyclohexyl-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID90567812
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC NameN-cyclohexyl-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NC1CCCCC1)C1CC(=O)N(C2CCOCC2)C1
InChIInChI=1S/C16H26N2O3/c19-15-10-12(11-18(15)14-6-8-21-9-7-14)16(20)17-13-4-2-1-3-5-13/h12-14H,1-11H2,(H,17,20)
InChIKeyDRDAKQNDRZRMBF-UHFFFAOYSA-N
XLogP1.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-cyclohexyl-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide (CID 90567812) is N-cyclohexyl-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide is O=C(NC1CCCCC1)C1CC(=O)N(C2CCOCC2)C1.
What is the InChIKey of N-cyclohexyl-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DRDAKQNDRZRMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c19-15-10-12(11-18(15)14-6-8-21-9-7-14)16(20)17-13-4-2-1-3-5-13/h12-14H,1-11H2,(H,17,20).
What are the key properties of N-cyclohexyl-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide?
N-cyclohexyl-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 294.39 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 90567812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).