N-tert-butyl-3-[(4,5-dioxoimidazolidin-2-ylidene)amino]propanamide

C10H16N4O3 — CID 136713428

IUPACN-tert-butyl-3-[(4,5-dioxoimidazolidin-2-ylidene)amino]propanamide
SMILESCC(C)(C)NC(=O)CCN=C1NC(=O)C(=O)N1
InChIInChI=1S/C10H16N4O3/c1-10(2,3)14-6(15)4-5-11-9-12-7(16)8(17)13-9/h4-5H2,1-3H3,(H,14,15)(H2,11,12,13,16,17)
InChIKeyGFSIFKBEYNYKGG-UHFFFAOYSA-N
MW240.26 g/mol
LogP-1.11
Rot. Bonds3

About N-tert-butyl-3-[(4,5-dioxoimidazolidin-2-ylidene)amino]propanamide

N-tert-butyl-3-[(4,5-dioxoimidazolidin-2-ylidene)amino]propanamide (PubChem CID 136713428) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is N-tert-butyl-3-[(4,5-dioxoimidazolidin-2-ylidene)amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-[(4,5-dioxoimidazolidin-2-ylidene)amino]propanamide
PubChem CID136713428
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC NameN-tert-butyl-3-[(4,5-dioxoimidazolidin-2-ylidene)amino]propanamide
SMILESCC(C)(C)NC(=O)CCN=C1NC(=O)C(=O)N1
InChIInChI=1S/C10H16N4O3/c1-10(2,3)14-6(15)4-5-11-9-12-7(16)8(17)13-9/h4-5H2,1-3H3,(H,14,15)(H2,11,12,13,16,17)
InChIKeyGFSIFKBEYNYKGG-UHFFFAOYSA-N
XLogP-1.11
TPSA99.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-1.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[(4,5-dioxoimidazolidin-2-ylidene)amino]propanamide?
The IUPAC name of N-tert-butyl-3-[(4,5-dioxoimidazolidin-2-ylidene)amino]propanamide (CID 136713428) is N-tert-butyl-3-[(4,5-dioxoimidazolidin-2-ylidene)amino]propanamide.
What is the SMILES notation for N-tert-butyl-3-[(4,5-dioxoimidazolidin-2-ylidene)amino]propanamide?
The canonical SMILES for N-tert-butyl-3-[(4,5-dioxoimidazolidin-2-ylidene)amino]propanamide is CC(C)(C)NC(=O)CCN=C1NC(=O)C(=O)N1.
What is the InChIKey of N-tert-butyl-3-[(4,5-dioxoimidazolidin-2-ylidene)amino]propanamide?
The InChIKey is GFSIFKBEYNYKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-10(2,3)14-6(15)4-5-11-9-12-7(16)8(17)13-9/h4-5H2,1-3H3,(H,14,15)(H2,11,12,13,16,17).
What are the key properties of N-tert-butyl-3-[(4,5-dioxoimidazolidin-2-ylidene)amino]propanamide?
N-tert-butyl-3-[(4,5-dioxoimidazolidin-2-ylidene)amino]propanamide has a molecular weight of 240.26 g/mol, XLogP of -1.11, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[(4,5-dioxoimidazolidin-2-ylidene)amino]propanamide is sourced from PubChem (CID 136713428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).