2-tert-butyl-3-methyl-4-oxo-N-propan-2-ylimidazolidine-1-carboxamide

C12H23N3O2 — CID 567525

IUPAC2-tert-butyl-3-methyl-4-oxo-N-propan-2-ylimidazolidine-1-carboxamide
SMILESCC(C)NC(=O)N1CC(=O)N(C)C1C(C)(C)C
InChIInChI=1S/C12H23N3O2/c1-8(2)13-11(17)15-7-9(16)14(6)10(15)12(3,4)5/h8,10H,7H2,1-6H3,(H,13,17)
InChIKeyXUTTXTVGPWQCTQ-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.25
Rot. Bonds1

About 2-tert-butyl-3-methyl-4-oxo-N-propan-2-ylimidazolidine-1-carboxamide

2-tert-butyl-3-methyl-4-oxo-N-propan-2-ylimidazolidine-1-carboxamide (PubChem CID 567525) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-tert-butyl-3-methyl-4-oxo-N-propan-2-ylimidazolidine-1-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-3-methyl-4-oxo-N-propan-2-ylimidazolidine-1-carboxamide
PubChem CID567525
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name2-tert-butyl-3-methyl-4-oxo-N-propan-2-ylimidazolidine-1-carboxamide
SMILESCC(C)NC(=O)N1CC(=O)N(C)C1C(C)(C)C
InChIInChI=1S/C12H23N3O2/c1-8(2)13-11(17)15-7-9(16)14(6)10(15)12(3,4)5/h8,10H,7H2,1-6H3,(H,13,17)
InChIKeyXUTTXTVGPWQCTQ-UHFFFAOYSA-N
XLogP1.25
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-methyl-4-oxo-N-propan-2-ylimidazolidine-1-carboxamide?
The IUPAC name of 2-tert-butyl-3-methyl-4-oxo-N-propan-2-ylimidazolidine-1-carboxamide (CID 567525) is 2-tert-butyl-3-methyl-4-oxo-N-propan-2-ylimidazolidine-1-carboxamide.
What is the SMILES notation for 2-tert-butyl-3-methyl-4-oxo-N-propan-2-ylimidazolidine-1-carboxamide?
The canonical SMILES for 2-tert-butyl-3-methyl-4-oxo-N-propan-2-ylimidazolidine-1-carboxamide is CC(C)NC(=O)N1CC(=O)N(C)C1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-3-methyl-4-oxo-N-propan-2-ylimidazolidine-1-carboxamide?
The InChIKey is XUTTXTVGPWQCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-8(2)13-11(17)15-7-9(16)14(6)10(15)12(3,4)5/h8,10H,7H2,1-6H3,(H,13,17).
What are the key properties of 2-tert-butyl-3-methyl-4-oxo-N-propan-2-ylimidazolidine-1-carboxamide?
2-tert-butyl-3-methyl-4-oxo-N-propan-2-ylimidazolidine-1-carboxamide has a molecular weight of 241.33 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-methyl-4-oxo-N-propan-2-ylimidazolidine-1-carboxamide is sourced from PubChem (CID 567525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).