2-(dimethylamino)-N-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexyl]-4-methylpentanamide

C18H29N3O4 — CID 58571963

IUPAC2-(dimethylamino)-N-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexyl]-4-methylpentanamide
SMILESCC(C)CC(C(=O)NCCCC(=O)CCN1C(=O)C=CC1=O)N(C)C
InChIInChI=1S/C18H29N3O4/c1-13(2)12-15(20(3)4)18(25)19-10-5-6-14(22)9-11-21-16(23)7-8-17(21)24/h7-8,13,15H,5-6,9-12H2,1-4H3,(H,19,25)
InChIKeyYZWKBKLKCBSLPA-UHFFFAOYSA-N
MW351.45 g/mol
LogP0.74
Rot. Bonds11

About 2-(dimethylamino)-N-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexyl]-4-methylpentanamide

2-(dimethylamino)-N-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexyl]-4-methylpentanamide (PubChem CID 58571963) has the molecular formula C18H29N3O4 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexyl]-4-methylpentanamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexyl]-4-methylpentanamide
PubChem CID58571963
Molecular FormulaC18H29N3O4
Molecular Weight351.45 g/mol
Exact Mass351.22
IUPAC Name2-(dimethylamino)-N-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexyl]-4-methylpentanamide
SMILESCC(C)CC(C(=O)NCCCC(=O)CCN1C(=O)C=CC1=O)N(C)C
InChIInChI=1S/C18H29N3O4/c1-13(2)12-15(20(3)4)18(25)19-10-5-6-14(22)9-11-21-16(23)7-8-17(21)24/h7-8,13,15H,5-6,9-12H2,1-4H3,(H,19,25)
InChIKeyYZWKBKLKCBSLPA-UHFFFAOYSA-N
XLogP0.74
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-(dimethylamino)-N-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexyl]-4-methylpentanamide?
The IUPAC name of 2-(dimethylamino)-N-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexyl]-4-methylpentanamide (CID 58571963) is 2-(dimethylamino)-N-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexyl]-4-methylpentanamide.
What is the SMILES notation for 2-(dimethylamino)-N-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexyl]-4-methylpentanamide?
The canonical SMILES for 2-(dimethylamino)-N-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexyl]-4-methylpentanamide is CC(C)CC(C(=O)NCCCC(=O)CCN1C(=O)C=CC1=O)N(C)C.
What is the InChIKey of 2-(dimethylamino)-N-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexyl]-4-methylpentanamide?
The InChIKey is YZWKBKLKCBSLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O4/c1-13(2)12-15(20(3)4)18(25)19-10-5-6-14(22)9-11-21-16(23)7-8-17(21)24/h7-8,13,15H,5-6,9-12H2,1-4H3,(H,19,25).
What are the key properties of 2-(dimethylamino)-N-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexyl]-4-methylpentanamide?
2-(dimethylamino)-N-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexyl]-4-methylpentanamide has a molecular weight of 351.45 g/mol, XLogP of 0.74, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexyl]-4-methylpentanamide is sourced from PubChem (CID 58571963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).