N-cyclohexyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide

C16H28N2O2 — CID 4089215

IUPACN-cyclohexyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CCN1CC(C(=O)NC2CCCCC2)CC1=O
InChIInChI=1S/C16H28N2O2/c1-12(2)8-9-18-11-13(10-15(18)19)16(20)17-14-6-4-3-5-7-14/h12-14H,3-11H2,1-2H3,(H,17,20)
InChIKeyUGOHUIYPOHEBTQ-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.33
Rot. Bonds5

About N-cyclohexyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide

N-cyclohexyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 4089215) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N-cyclohexyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID4089215
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC NameN-cyclohexyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CCN1CC(C(=O)NC2CCCCC2)CC1=O
InChIInChI=1S/C16H28N2O2/c1-12(2)8-9-18-11-13(10-15(18)19)16(20)17-14-6-4-3-5-7-14/h12-14H,3-11H2,1-2H3,(H,17,20)
InChIKeyUGOHUIYPOHEBTQ-UHFFFAOYSA-N
XLogP2.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-cyclohexyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide (CID 4089215) is N-cyclohexyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide is CC(C)CCN1CC(C(=O)NC2CCCCC2)CC1=O.
What is the InChIKey of N-cyclohexyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is UGOHUIYPOHEBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-12(2)8-9-18-11-13(10-15(18)19)16(20)17-14-6-4-3-5-7-14/h12-14H,3-11H2,1-2H3,(H,17,20).
What are the key properties of N-cyclohexyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide?
N-cyclohexyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 280.41 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 4089215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).