N-tert-butyl-2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide

C13H23N3O3 — CID 2604804

IUPACN-tert-butyl-2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC(C)C[C@@H]1NC(=O)N(CC(=O)NC(C)(C)C)C1=O
InChIInChI=1S/C13H23N3O3/c1-8(2)6-9-11(18)16(12(19)14-9)7-10(17)15-13(3,4)5/h8-9H,6-7H2,1-5H3,(H,14,19)(H,15,17)/t9-/m0/s1
InChIKeyRBCBTTPKCPKTKX-VIFPVBQESA-N
MW269.34 g/mol
LogP0.87
Rot. Bonds4

About N-tert-butyl-2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide

N-tert-butyl-2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 2604804) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-tert-butyl-2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID2604804
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC NameN-tert-butyl-2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC(C)C[C@@H]1NC(=O)N(CC(=O)NC(C)(C)C)C1=O
InChIInChI=1S/C13H23N3O3/c1-8(2)6-9-11(18)16(12(19)14-9)7-10(17)15-13(3,4)5/h8-9H,6-7H2,1-5H3,(H,14,19)(H,15,17)/t9-/m0/s1
InChIKeyRBCBTTPKCPKTKX-VIFPVBQESA-N
XLogP0.87
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-tert-butyl-2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide (CID 2604804) is N-tert-butyl-2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide is CC(C)C[C@@H]1NC(=O)N(CC(=O)NC(C)(C)C)C1=O.
What is the InChIKey of N-tert-butyl-2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is RBCBTTPKCPKTKX-VIFPVBQESA-N. The full InChI is InChI=1S/C13H23N3O3/c1-8(2)6-9-11(18)16(12(19)14-9)7-10(17)15-13(3,4)5/h8-9H,6-7H2,1-5H3,(H,14,19)(H,15,17)/t9-/m0/s1.
What are the key properties of N-tert-butyl-2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
N-tert-butyl-2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 269.34 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 2604804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).