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

C17H30N2O2 — CID 6624423

IUPACN-cycloheptyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CCN1CC(C(=O)NC2CCCCCC2)CC1=O
InChIInChI=1S/C17H30N2O2/c1-13(2)9-10-19-12-14(11-16(19)20)17(21)18-15-7-5-3-4-6-8-15/h13-15H,3-12H2,1-2H3,(H,18,21)
InChIKeyVMCSTWMXXLVWLU-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.72
Rot. Bonds5

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

N-cycloheptyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 6624423) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N-cycloheptyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID6624423
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC NameN-cycloheptyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CCN1CC(C(=O)NC2CCCCCC2)CC1=O
InChIInChI=1S/C17H30N2O2/c1-13(2)9-10-19-12-14(11-16(19)20)17(21)18-15-7-5-3-4-6-8-15/h13-15H,3-12H2,1-2H3,(H,18,21)
InChIKeyVMCSTWMXXLVWLU-UHFFFAOYSA-N
XLogP2.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-cycloheptyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide (CID 6624423) is N-cycloheptyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-cycloheptyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide is CC(C)CCN1CC(C(=O)NC2CCCCCC2)CC1=O.
What is the InChIKey of N-cycloheptyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VMCSTWMXXLVWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-13(2)9-10-19-12-14(11-16(19)20)17(21)18-15-7-5-3-4-6-8-15/h13-15H,3-12H2,1-2H3,(H,18,21).
What are the key properties of N-cycloheptyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide?
N-cycloheptyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 294.44 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 6624423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).