6-(2,5-dioxopyrrol-1-yl)-N-methyl-N-propan-2-ylhexanamide

C14H22N2O3 — CID 138650075

IUPAC6-(2,5-dioxopyrrol-1-yl)-N-methyl-N-propan-2-ylhexanamide
SMILESCC(C)N(C)C(=O)CCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C14H22N2O3/c1-11(2)15(3)12(17)7-5-4-6-10-16-13(18)8-9-14(16)19/h8-9,11H,4-7,10H2,1-3H3
InChIKeyYAKIWJWULLWOSK-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.34
Rot. Bonds7

About 6-(2,5-dioxopyrrol-1-yl)-N-methyl-N-propan-2-ylhexanamide

6-(2,5-dioxopyrrol-1-yl)-N-methyl-N-propan-2-ylhexanamide (PubChem CID 138650075) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 6-(2,5-dioxopyrrol-1-yl)-N-methyl-N-propan-2-ylhexanamide.

Molecular Properties

Compound Name6-(2,5-dioxopyrrol-1-yl)-N-methyl-N-propan-2-ylhexanamide
PubChem CID138650075
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name6-(2,5-dioxopyrrol-1-yl)-N-methyl-N-propan-2-ylhexanamide
SMILESCC(C)N(C)C(=O)CCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C14H22N2O3/c1-11(2)15(3)12(17)7-5-4-6-10-16-13(18)8-9-14(16)19/h8-9,11H,4-7,10H2,1-3H3
InChIKeyYAKIWJWULLWOSK-UHFFFAOYSA-N
XLogP1.34
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 6-(2,5-dioxopyrrol-1-yl)-N-methyl-N-propan-2-ylhexanamide?
The IUPAC name of 6-(2,5-dioxopyrrol-1-yl)-N-methyl-N-propan-2-ylhexanamide (CID 138650075) is 6-(2,5-dioxopyrrol-1-yl)-N-methyl-N-propan-2-ylhexanamide.
What is the SMILES notation for 6-(2,5-dioxopyrrol-1-yl)-N-methyl-N-propan-2-ylhexanamide?
The canonical SMILES for 6-(2,5-dioxopyrrol-1-yl)-N-methyl-N-propan-2-ylhexanamide is CC(C)N(C)C(=O)CCCCCN1C(=O)C=CC1=O.
What is the InChIKey of 6-(2,5-dioxopyrrol-1-yl)-N-methyl-N-propan-2-ylhexanamide?
The InChIKey is YAKIWJWULLWOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-11(2)15(3)12(17)7-5-4-6-10-16-13(18)8-9-14(16)19/h8-9,11H,4-7,10H2,1-3H3.
What are the key properties of 6-(2,5-dioxopyrrol-1-yl)-N-methyl-N-propan-2-ylhexanamide?
6-(2,5-dioxopyrrol-1-yl)-N-methyl-N-propan-2-ylhexanamide has a molecular weight of 266.34 g/mol, XLogP of 1.34, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dioxopyrrol-1-yl)-N-methyl-N-propan-2-ylhexanamide is sourced from PubChem (CID 138650075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).