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

C14H22N2O3 — CID 118729018

IUPACN-(cyclohexylmethyl)-2-(2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCC(C(=O)NCC1CCCCC1)N1C(=O)CCC1=O
InChIInChI=1S/C14H22N2O3/c1-10(16-12(17)7-8-13(16)18)14(19)15-9-11-5-3-2-4-6-11/h10-11H,2-9H2,1H3,(H,15,19)
InChIKeyHMBPXKBWYZXTSY-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.22
Rot. Bonds4

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

N-(cyclohexylmethyl)-2-(2,5-dioxopyrrolidin-1-yl)propanamide (PubChem CID 118729018) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-(2,5-dioxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-(2,5-dioxopyrrolidin-1-yl)propanamide
PubChem CID118729018
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-(cyclohexylmethyl)-2-(2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCC(C(=O)NCC1CCCCC1)N1C(=O)CCC1=O
InChIInChI=1S/C14H22N2O3/c1-10(16-12(17)7-8-13(16)18)14(19)15-9-11-5-3-2-4-6-11/h10-11H,2-9H2,1H3,(H,15,19)
InChIKeyHMBPXKBWYZXTSY-UHFFFAOYSA-N
XLogP1.22
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.22
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)propanamide?
The IUPAC name of N-(cyclohexylmethyl)-2-(2,5-dioxopyrrolidin-1-yl)propanamide (CID 118729018) is N-(cyclohexylmethyl)-2-(2,5-dioxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-(2,5-dioxopyrrolidin-1-yl)propanamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-(2,5-dioxopyrrolidin-1-yl)propanamide is CC(C(=O)NCC1CCCCC1)N1C(=O)CCC1=O.
What is the InChIKey of N-(cyclohexylmethyl)-2-(2,5-dioxopyrrolidin-1-yl)propanamide?
The InChIKey is HMBPXKBWYZXTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10(16-12(17)7-8-13(16)18)14(19)15-9-11-5-3-2-4-6-11/h10-11H,2-9H2,1H3,(H,15,19).
What are the key properties of N-(cyclohexylmethyl)-2-(2,5-dioxopyrrolidin-1-yl)propanamide?
N-(cyclohexylmethyl)-2-(2,5-dioxopyrrolidin-1-yl)propanamide has a molecular weight of 266.34 g/mol, XLogP of 1.22, 4 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)propanamide is sourced from PubChem (CID 118729018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).