N-butan-2-yl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide

C15H26N2O2 — CID 3401597

IUPACN-butan-2-yl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
SMILESCCC(C)NC(=O)C1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C15H26N2O2/c1-3-11(2)16-15(19)12-9-14(18)17(10-12)13-7-5-4-6-8-13/h11-13H,3-10H2,1-2H3,(H,16,19)
InChIKeyCZTOENPFARMMJX-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.08
Rot. Bonds4

About N-butan-2-yl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide

N-butan-2-yl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 3401597) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is N-butan-2-yl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
PubChem CID3401597
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC NameN-butan-2-yl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
SMILESCCC(C)NC(=O)C1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C15H26N2O2/c1-3-11(2)16-15(19)12-9-14(18)17(10-12)13-7-5-4-6-8-13/h11-13H,3-10H2,1-2H3,(H,16,19)
InChIKeyCZTOENPFARMMJX-UHFFFAOYSA-N
XLogP2.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-butan-2-yl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide (CID 3401597) is N-butan-2-yl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-butan-2-yl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide is CCC(C)NC(=O)C1CC(=O)N(C2CCCCC2)C1.
What is the InChIKey of N-butan-2-yl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is CZTOENPFARMMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-3-11(2)16-15(19)12-9-14(18)17(10-12)13-7-5-4-6-8-13/h11-13H,3-10H2,1-2H3,(H,16,19).
What are the key properties of N-butan-2-yl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide?
N-butan-2-yl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 266.38 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 3401597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).