3-(2,5-dioxopyrrol-1-yl)-N-(3-methoxy-2-methylpropyl)propanamide

C12H18N2O4 — CID 90294839

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-(3-methoxy-2-methylpropyl)propanamide
SMILESCOCC(C)CNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C12H18N2O4/c1-9(8-18-2)7-13-10(15)5-6-14-11(16)3-4-12(14)17/h3-4,9H,5-8H2,1-2H3,(H,13,15)
InChIKeyBWRYVZPSZDKEAX-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.30
Rot. Bonds7

About 3-(2,5-dioxopyrrol-1-yl)-N-(3-methoxy-2-methylpropyl)propanamide

3-(2,5-dioxopyrrol-1-yl)-N-(3-methoxy-2-methylpropyl)propanamide (PubChem CID 90294839) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-(3-methoxy-2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-(3-methoxy-2-methylpropyl)propanamide
PubChem CID90294839
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-(3-methoxy-2-methylpropyl)propanamide
SMILESCOCC(C)CNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C12H18N2O4/c1-9(8-18-2)7-13-10(15)5-6-14-11(16)3-4-12(14)17/h3-4,9H,5-8H2,1-2H3,(H,13,15)
InChIKeyBWRYVZPSZDKEAX-UHFFFAOYSA-N
XLogP-0.30
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-(3-methoxy-2-methylpropyl)propanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-(3-methoxy-2-methylpropyl)propanamide (CID 90294839) is 3-(2,5-dioxopyrrol-1-yl)-N-(3-methoxy-2-methylpropyl)propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-(3-methoxy-2-methylpropyl)propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-(3-methoxy-2-methylpropyl)propanamide is COCC(C)CNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-(3-methoxy-2-methylpropyl)propanamide?
The InChIKey is BWRYVZPSZDKEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-9(8-18-2)7-13-10(15)5-6-14-11(16)3-4-12(14)17/h3-4,9H,5-8H2,1-2H3,(H,13,15).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-(3-methoxy-2-methylpropyl)propanamide?
3-(2,5-dioxopyrrol-1-yl)-N-(3-methoxy-2-methylpropyl)propanamide has a molecular weight of 254.29 g/mol, XLogP of -0.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)-N-(3-methoxy-2-methylpropyl)propanamide is sourced from PubChem (CID 90294839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).