12-(2,5-dioxopyrrol-1-yl)-N-methyl-10-oxododecanamide

C17H26N2O4 — CID 58066928

IUPAC12-(2,5-dioxopyrrol-1-yl)-N-methyl-10-oxododecanamide
SMILESCNC(=O)CCCCCCCCC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C17H26N2O4/c1-18-15(21)9-7-5-3-2-4-6-8-14(20)12-13-19-16(22)10-11-17(19)23/h10-11H,2-9,12-13H2,1H3,(H,18,21)
InChIKeyVXQBLJYUVZJQSA-UHFFFAOYSA-N
MW322.40 g/mol
LogP1.74
Rot. Bonds12

About 12-(2,5-dioxopyrrol-1-yl)-N-methyl-10-oxododecanamide

12-(2,5-dioxopyrrol-1-yl)-N-methyl-10-oxododecanamide (PubChem CID 58066928) has the molecular formula C17H26N2O4 and a molecular weight of 322.40 g/mol. Its IUPAC name is 12-(2,5-dioxopyrrol-1-yl)-N-methyl-10-oxododecanamide.

Molecular Properties

Compound Name12-(2,5-dioxopyrrol-1-yl)-N-methyl-10-oxododecanamide
PubChem CID58066928
Molecular FormulaC17H26N2O4
Molecular Weight322.40 g/mol
Exact Mass322.19
IUPAC Name12-(2,5-dioxopyrrol-1-yl)-N-methyl-10-oxododecanamide
SMILESCNC(=O)CCCCCCCCC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C17H26N2O4/c1-18-15(21)9-7-5-3-2-4-6-8-14(20)12-13-19-16(22)10-11-17(19)23/h10-11H,2-9,12-13H2,1H3,(H,18,21)
InChIKeyVXQBLJYUVZJQSA-UHFFFAOYSA-N
XLogP1.74
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 12-(2,5-dioxopyrrol-1-yl)-N-methyl-10-oxododecanamide?
The IUPAC name of 12-(2,5-dioxopyrrol-1-yl)-N-methyl-10-oxododecanamide (CID 58066928) is 12-(2,5-dioxopyrrol-1-yl)-N-methyl-10-oxododecanamide.
What is the SMILES notation for 12-(2,5-dioxopyrrol-1-yl)-N-methyl-10-oxododecanamide?
The canonical SMILES for 12-(2,5-dioxopyrrol-1-yl)-N-methyl-10-oxododecanamide is CNC(=O)CCCCCCCCC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 12-(2,5-dioxopyrrol-1-yl)-N-methyl-10-oxododecanamide?
The InChIKey is VXQBLJYUVZJQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-18-15(21)9-7-5-3-2-4-6-8-14(20)12-13-19-16(22)10-11-17(19)23/h10-11H,2-9,12-13H2,1H3,(H,18,21).
What are the key properties of 12-(2,5-dioxopyrrol-1-yl)-N-methyl-10-oxododecanamide?
12-(2,5-dioxopyrrol-1-yl)-N-methyl-10-oxododecanamide has a molecular weight of 322.40 g/mol, XLogP of 1.74, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(2,5-dioxopyrrol-1-yl)-N-methyl-10-oxododecanamide is sourced from PubChem (CID 58066928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).