N,4-dimethyl-2,5-dioxo-3-propan-2-ylimidazolidine-4-carboxamide

C9H15N3O3 — CID 11127606

IUPACN,4-dimethyl-2,5-dioxo-3-propan-2-ylimidazolidine-4-carboxamide
SMILESCNC(=O)C1(C)C(=O)NC(=O)N1C(C)C
InChIInChI=1S/C9H15N3O3/c1-5(2)12-8(15)11-7(14)9(12,3)6(13)10-4/h5H,1-4H3,(H,10,13)(H,11,14,15)
InChIKeyOCRMFIADNLNYMI-UHFFFAOYSA-N
MW213.24 g/mol
LogP-0.55
Rot. Bonds2

About N,4-dimethyl-2,5-dioxo-3-propan-2-ylimidazolidine-4-carboxamide

N,4-dimethyl-2,5-dioxo-3-propan-2-ylimidazolidine-4-carboxamide (PubChem CID 11127606) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is N,4-dimethyl-2,5-dioxo-3-propan-2-ylimidazolidine-4-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-2,5-dioxo-3-propan-2-ylimidazolidine-4-carboxamide
PubChem CID11127606
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC NameN,4-dimethyl-2,5-dioxo-3-propan-2-ylimidazolidine-4-carboxamide
SMILESCNC(=O)C1(C)C(=O)NC(=O)N1C(C)C
InChIInChI=1S/C9H15N3O3/c1-5(2)12-8(15)11-7(14)9(12,3)6(13)10-4/h5H,1-4H3,(H,10,13)(H,11,14,15)
InChIKeyOCRMFIADNLNYMI-UHFFFAOYSA-N
XLogP-0.55
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2,5-dioxo-3-propan-2-ylimidazolidine-4-carboxamide?
The IUPAC name of N,4-dimethyl-2,5-dioxo-3-propan-2-ylimidazolidine-4-carboxamide (CID 11127606) is N,4-dimethyl-2,5-dioxo-3-propan-2-ylimidazolidine-4-carboxamide.
What is the SMILES notation for N,4-dimethyl-2,5-dioxo-3-propan-2-ylimidazolidine-4-carboxamide?
The canonical SMILES for N,4-dimethyl-2,5-dioxo-3-propan-2-ylimidazolidine-4-carboxamide is CNC(=O)C1(C)C(=O)NC(=O)N1C(C)C.
What is the InChIKey of N,4-dimethyl-2,5-dioxo-3-propan-2-ylimidazolidine-4-carboxamide?
The InChIKey is OCRMFIADNLNYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-5(2)12-8(15)11-7(14)9(12,3)6(13)10-4/h5H,1-4H3,(H,10,13)(H,11,14,15).
What are the key properties of N,4-dimethyl-2,5-dioxo-3-propan-2-ylimidazolidine-4-carboxamide?
N,4-dimethyl-2,5-dioxo-3-propan-2-ylimidazolidine-4-carboxamide has a molecular weight of 213.24 g/mol, XLogP of -0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-2,5-dioxo-3-propan-2-ylimidazolidine-4-carboxamide is sourced from PubChem (CID 11127606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).