N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-(3-methyl-2,5-dioxopyrrol-1-yl)propanamide

C12H18N2O5 — CID 129224231

IUPACN-(1,3-dihydroxy-2-methylpropan-2-yl)-3-(3-methyl-2,5-dioxopyrrol-1-yl)propanamide
SMILESCC1=CC(=O)N(CCC(=O)NC(C)(CO)CO)C1=O
InChIInChI=1S/C12H18N2O5/c1-8-5-10(18)14(11(8)19)4-3-9(17)13-12(2,6-15)7-16/h5,15-16H,3-4,6-7H2,1-2H3,(H,13,17)
InChIKeyZMMIXHROKAZULH-UHFFFAOYSA-N
MW270.28 g/mol
LogP-1.45
Rot. Bonds6

About N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-(3-methyl-2,5-dioxopyrrol-1-yl)propanamide

N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-(3-methyl-2,5-dioxopyrrol-1-yl)propanamide (PubChem CID 129224231) has the molecular formula C12H18N2O5 and a molecular weight of 270.28 g/mol. Its IUPAC name is N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-(3-methyl-2,5-dioxopyrrol-1-yl)propanamide.

Molecular Properties

Compound NameN-(1,3-dihydroxy-2-methylpropan-2-yl)-3-(3-methyl-2,5-dioxopyrrol-1-yl)propanamide
PubChem CID129224231
Molecular FormulaC12H18N2O5
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC NameN-(1,3-dihydroxy-2-methylpropan-2-yl)-3-(3-methyl-2,5-dioxopyrrol-1-yl)propanamide
SMILESCC1=CC(=O)N(CCC(=O)NC(C)(CO)CO)C1=O
InChIInChI=1S/C12H18N2O5/c1-8-5-10(18)14(11(8)19)4-3-9(17)13-12(2,6-15)7-16/h5,15-16H,3-4,6-7H2,1-2H3,(H,13,17)
InChIKeyZMMIXHROKAZULH-UHFFFAOYSA-N
XLogP-1.45
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 5-1.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-(3-methyl-2,5-dioxopyrrol-1-yl)propanamide?
The IUPAC name of N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-(3-methyl-2,5-dioxopyrrol-1-yl)propanamide (CID 129224231) is N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-(3-methyl-2,5-dioxopyrrol-1-yl)propanamide.
What is the SMILES notation for N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-(3-methyl-2,5-dioxopyrrol-1-yl)propanamide?
The canonical SMILES for N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-(3-methyl-2,5-dioxopyrrol-1-yl)propanamide is CC1=CC(=O)N(CCC(=O)NC(C)(CO)CO)C1=O.
What is the InChIKey of N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-(3-methyl-2,5-dioxopyrrol-1-yl)propanamide?
The InChIKey is ZMMIXHROKAZULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5/c1-8-5-10(18)14(11(8)19)4-3-9(17)13-12(2,6-15)7-16/h5,15-16H,3-4,6-7H2,1-2H3,(H,13,17).
What are the key properties of N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-(3-methyl-2,5-dioxopyrrol-1-yl)propanamide?
N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-(3-methyl-2,5-dioxopyrrol-1-yl)propanamide has a molecular weight of 270.28 g/mol, XLogP of -1.45, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-(3-methyl-2,5-dioxopyrrol-1-yl)propanamide is sourced from PubChem (CID 129224231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).