N-(cyclohexylmethyl)-2-(2,5-dioxopyrrolidin-1-yl)butanamide

C15H24N2O3 — CID 118729029

IUPACN-(cyclohexylmethyl)-2-(2,5-dioxopyrrolidin-1-yl)butanamide
SMILESCCC(C(=O)NCC1CCCCC1)N1C(=O)CCC1=O
InChIInChI=1S/C15H24N2O3/c1-2-12(17-13(18)8-9-14(17)19)15(20)16-10-11-6-4-3-5-7-11/h11-12H,2-10H2,1H3,(H,16,20)
InChIKeyQLDHNNXNHXWWRB-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.61
Rot. Bonds5

About N-(cyclohexylmethyl)-2-(2,5-dioxopyrrolidin-1-yl)butanamide

N-(cyclohexylmethyl)-2-(2,5-dioxopyrrolidin-1-yl)butanamide (PubChem CID 118729029) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-(2,5-dioxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-(2,5-dioxopyrrolidin-1-yl)butanamide
PubChem CID118729029
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC NameN-(cyclohexylmethyl)-2-(2,5-dioxopyrrolidin-1-yl)butanamide
SMILESCCC(C(=O)NCC1CCCCC1)N1C(=O)CCC1=O
InChIInChI=1S/C15H24N2O3/c1-2-12(17-13(18)8-9-14(17)19)15(20)16-10-11-6-4-3-5-7-11/h11-12H,2-10H2,1H3,(H,16,20)
InChIKeyQLDHNNXNHXWWRB-UHFFFAOYSA-N
XLogP1.61
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-(2,5-dioxopyrrolidin-1-yl)butanamide?
The IUPAC name of N-(cyclohexylmethyl)-2-(2,5-dioxopyrrolidin-1-yl)butanamide (CID 118729029) is N-(cyclohexylmethyl)-2-(2,5-dioxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-(2,5-dioxopyrrolidin-1-yl)butanamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-(2,5-dioxopyrrolidin-1-yl)butanamide is CCC(C(=O)NCC1CCCCC1)N1C(=O)CCC1=O.
What is the InChIKey of N-(cyclohexylmethyl)-2-(2,5-dioxopyrrolidin-1-yl)butanamide?
The InChIKey is QLDHNNXNHXWWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-2-12(17-13(18)8-9-14(17)19)15(20)16-10-11-6-4-3-5-7-11/h11-12H,2-10H2,1H3,(H,16,20).
What are the key properties of N-(cyclohexylmethyl)-2-(2,5-dioxopyrrolidin-1-yl)butanamide?
N-(cyclohexylmethyl)-2-(2,5-dioxopyrrolidin-1-yl)butanamide has a molecular weight of 280.37 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-(2,5-dioxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 118729029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).