N-cyclopropyl-2-[4-[2-[[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide

C17H28N6O4 — CID 30737456

About N-cyclopropyl-2-[4-[2-[[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide

N-cyclopropyl-2-[4-[2-[[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide (PubChem CID 30737456) has the molecular formula C17H28N6O4 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[2-[[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-cyclopropyl-2-[4-[2-[[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
• PubChem CID: 30737456
• Molecular Formula: C17H28N6O4
• Molecular Weight: 380.45 g/mol
• Exact Mass: 380.22
• IUPAC Name: N-cyclopropyl-2-[4-[2-[[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
• SMILES: CC[C@@]1(C)NC(=O)N(NC(=O)CN2CCN(CC(=O)NC3CC3)CC2)C1=O
• InChI: InChI=1S/C17H28N6O4/c1-3-17(2)15(26)23(16(27)19-17)20-14(25)11-22-8-6-21(7-9-22)10-13(24)18-12-4-5-12/h12H,3-11H2,1-2H3,(H,18,24)(H,19,27)(H,20,25)/t17-/m1/s1
• InChIKey: ADMRRDPLCCTZAM-QGZVFWFLSA-N
• XLogP: -1.37
• TPSA: 114.09 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.45
LogP ≤ 5	-1.37
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[2-[[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide?

The IUPAC name of N-cyclopropyl-2-[4-[2-[[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide (CID 30737456) is N-cyclopropyl-2-[4-[2-[[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide.

What is the SMILES notation for N-cyclopropyl-2-[4-[2-[[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide?

The canonical SMILES for N-cyclopropyl-2-[4-[2-[[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide is CC[C@@]1(C)NC(=O)N(NC(=O)CN2CCN(CC(=O)NC3CC3)CC2)C1=O.

What is the InChIKey of N-cyclopropyl-2-[4-[2-[[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide?

The InChIKey is ADMRRDPLCCTZAM-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H28N6O4/c1-3-17(2)15(26)23(16(27)19-17)20-14(25)11-22-8-6-21(7-9-22)10-13(24)18-12-4-5-12/h12H,3-11H2,1-2H3,(H,18,24)(H,19,27)(H,20,25)/t17-/m1/s1.

What are the key properties of N-cyclopropyl-2-[4-[2-[[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide?

N-cyclopropyl-2-[4-[2-[[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide has a molecular weight of 380.45 g/mol, XLogP of -1.37, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-2-[4-[2-[[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 30737456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).