2-[4-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]piperazin-1-yl]-N,N-dimethylacetamide

C16H29N5O4 — CID 53367764

IUPAC2-[4-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]piperazin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCN(CC(O)CN2C(=O)NC(C)(C)C2=O)CC1
InChIInChI=1S/C16H29N5O4/c1-16(2)14(24)21(15(25)17-16)10-12(22)9-19-5-7-20(8-6-19)11-13(23)18(3)4/h12,22H,5-11H2,1-4H3,(H,17,25)
InChIKeyGUKBTQDUDJJBLH-UHFFFAOYSA-N
MW355.44 g/mol
LogP-1.62
Rot. Bonds6

About 2-[4-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]piperazin-1-yl]-N,N-dimethylacetamide

2-[4-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]piperazin-1-yl]-N,N-dimethylacetamide (PubChem CID 53367764) has the molecular formula C16H29N5O4 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-[4-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]piperazin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]piperazin-1-yl]-N,N-dimethylacetamide
PubChem CID53367764
Molecular FormulaC16H29N5O4
Molecular Weight355.44 g/mol
Exact Mass355.22
IUPAC Name2-[4-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]piperazin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCN(CC(O)CN2C(=O)NC(C)(C)C2=O)CC1
InChIInChI=1S/C16H29N5O4/c1-16(2)14(24)21(15(25)17-16)10-12(22)9-19-5-7-20(8-6-19)11-13(23)18(3)4/h12,22H,5-11H2,1-4H3,(H,17,25)
InChIKeyGUKBTQDUDJJBLH-UHFFFAOYSA-N
XLogP-1.62
TPSA96.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 5-1.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[4-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]piperazin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]piperazin-1-yl]-N,N-dimethylacetamide (CID 53367764) is 2-[4-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]piperazin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]piperazin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]piperazin-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1CCN(CC(O)CN2C(=O)NC(C)(C)C2=O)CC1.
What is the InChIKey of 2-[4-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]piperazin-1-yl]-N,N-dimethylacetamide?
The InChIKey is GUKBTQDUDJJBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5O4/c1-16(2)14(24)21(15(25)17-16)10-12(22)9-19-5-7-20(8-6-19)11-13(23)18(3)4/h12,22H,5-11H2,1-4H3,(H,17,25).
What are the key properties of 2-[4-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]piperazin-1-yl]-N,N-dimethylacetamide?
2-[4-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]piperazin-1-yl]-N,N-dimethylacetamide has a molecular weight of 355.44 g/mol, XLogP of -1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]piperazin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 53367764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).