8-(2,5-dioxopyrrol-1-yl)-N-hexan-2-yl-4,4,6,6-tetramethyloctanamide

C22H38N2O3 — CID 166799740

IUPAC8-(2,5-dioxopyrrol-1-yl)-N-hexan-2-yl-4,4,6,6-tetramethyloctanamide
SMILESCCCCC(C)NC(=O)CCC(C)(C)CC(C)(C)CCN1C(=O)C=CC1=O
InChIInChI=1S/C22H38N2O3/c1-7-8-9-17(2)23-18(25)12-13-21(3,4)16-22(5,6)14-15-24-19(26)10-11-20(24)27/h10-11,17H,7-9,12-16H2,1-6H3,(H,23,25)
InChIKeyUZMUMBRJYGZZCV-UHFFFAOYSA-N
MW378.56 g/mol
LogP4.22
Rot. Bonds12

About 8-(2,5-dioxopyrrol-1-yl)-N-hexan-2-yl-4,4,6,6-tetramethyloctanamide

8-(2,5-dioxopyrrol-1-yl)-N-hexan-2-yl-4,4,6,6-tetramethyloctanamide (PubChem CID 166799740) has the molecular formula C22H38N2O3 and a molecular weight of 378.56 g/mol. Its IUPAC name is 8-(2,5-dioxopyrrol-1-yl)-N-hexan-2-yl-4,4,6,6-tetramethyloctanamide.

Molecular Properties

Compound Name8-(2,5-dioxopyrrol-1-yl)-N-hexan-2-yl-4,4,6,6-tetramethyloctanamide
PubChem CID166799740
Molecular FormulaC22H38N2O3
Molecular Weight378.56 g/mol
Exact Mass378.29
IUPAC Name8-(2,5-dioxopyrrol-1-yl)-N-hexan-2-yl-4,4,6,6-tetramethyloctanamide
SMILESCCCCC(C)NC(=O)CCC(C)(C)CC(C)(C)CCN1C(=O)C=CC1=O
InChIInChI=1S/C22H38N2O3/c1-7-8-9-17(2)23-18(25)12-13-21(3,4)16-22(5,6)14-15-24-19(26)10-11-20(24)27/h10-11,17H,7-9,12-16H2,1-6H3,(H,23,25)
InChIKeyUZMUMBRJYGZZCV-UHFFFAOYSA-N
XLogP4.22
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.56
LogP ≤ 54.22
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 8-(2,5-dioxopyrrol-1-yl)-N-hexan-2-yl-4,4,6,6-tetramethyloctanamide?
The IUPAC name of 8-(2,5-dioxopyrrol-1-yl)-N-hexan-2-yl-4,4,6,6-tetramethyloctanamide (CID 166799740) is 8-(2,5-dioxopyrrol-1-yl)-N-hexan-2-yl-4,4,6,6-tetramethyloctanamide.
What is the SMILES notation for 8-(2,5-dioxopyrrol-1-yl)-N-hexan-2-yl-4,4,6,6-tetramethyloctanamide?
The canonical SMILES for 8-(2,5-dioxopyrrol-1-yl)-N-hexan-2-yl-4,4,6,6-tetramethyloctanamide is CCCCC(C)NC(=O)CCC(C)(C)CC(C)(C)CCN1C(=O)C=CC1=O.
What is the InChIKey of 8-(2,5-dioxopyrrol-1-yl)-N-hexan-2-yl-4,4,6,6-tetramethyloctanamide?
The InChIKey is UZMUMBRJYGZZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N2O3/c1-7-8-9-17(2)23-18(25)12-13-21(3,4)16-22(5,6)14-15-24-19(26)10-11-20(24)27/h10-11,17H,7-9,12-16H2,1-6H3,(H,23,25).
What are the key properties of 8-(2,5-dioxopyrrol-1-yl)-N-hexan-2-yl-4,4,6,6-tetramethyloctanamide?
8-(2,5-dioxopyrrol-1-yl)-N-hexan-2-yl-4,4,6,6-tetramethyloctanamide has a molecular weight of 378.56 g/mol, XLogP of 4.22, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,5-dioxopyrrol-1-yl)-N-hexan-2-yl-4,4,6,6-tetramethyloctanamide is sourced from PubChem (CID 166799740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).