2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-[(2S)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]acetamide

C17H30N4O3 — CID 98772326

IUPAC2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-[(2S)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]acetamide
SMILESC[C@@H]1C[C@@H](C)CN(C[C@H](C)NC(=O)CN2C(=O)NC(=O)C2(C)C)C1
InChIInChI=1S/C17H30N4O3/c1-11-6-12(2)8-20(7-11)9-13(3)18-14(22)10-21-16(24)19-15(23)17(21,4)5/h11-13H,6-10H2,1-5H3,(H,18,22)(H,19,23,24)/t11-,12-,13+/m1/s1
InChIKeyBNHPJVMISLJTLS-UPJWGTAASA-N
MW338.45 g/mol
LogP0.80
Rot. Bonds5

About 2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-[(2S)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]acetamide

2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-[(2S)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]acetamide (PubChem CID 98772326) has the molecular formula C17H30N4O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-[(2S)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-[(2S)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]acetamide
PubChem CID98772326
Molecular FormulaC17H30N4O3
Molecular Weight338.45 g/mol
Exact Mass338.23
IUPAC Name2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-[(2S)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]acetamide
SMILESC[C@@H]1C[C@@H](C)CN(C[C@H](C)NC(=O)CN2C(=O)NC(=O)C2(C)C)C1
InChIInChI=1S/C17H30N4O3/c1-11-6-12(2)8-20(7-11)9-13(3)18-14(22)10-21-16(24)19-15(23)17(21,4)5/h11-13H,6-10H2,1-5H3,(H,18,22)(H,19,23,24)/t11-,12-,13+/m1/s1
InChIKeyBNHPJVMISLJTLS-UPJWGTAASA-N
XLogP0.80
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-[(2S)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]acetamide?
The IUPAC name of 2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-[(2S)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]acetamide (CID 98772326) is 2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-[(2S)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]acetamide.
What is the SMILES notation for 2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-[(2S)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]acetamide?
The canonical SMILES for 2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-[(2S)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]acetamide is C[C@@H]1C[C@@H](C)CN(C[C@H](C)NC(=O)CN2C(=O)NC(=O)C2(C)C)C1.
What is the InChIKey of 2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-[(2S)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]acetamide?
The InChIKey is BNHPJVMISLJTLS-UPJWGTAASA-N. The full InChI is InChI=1S/C17H30N4O3/c1-11-6-12(2)8-20(7-11)9-13(3)18-14(22)10-21-16(24)19-15(23)17(21,4)5/h11-13H,6-10H2,1-5H3,(H,18,22)(H,19,23,24)/t11-,12-,13+/m1/s1.
What are the key properties of 2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-[(2S)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]acetamide?
2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-[(2S)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]acetamide has a molecular weight of 338.45 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-[(2S)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]acetamide is sourced from PubChem (CID 98772326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).