2-[methyl-[[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]methyl]amino]-N-propylacetamide

C14H26N4O3 — CID 24505268

IUPAC2-[methyl-[[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]methyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)CN1C(=O)NC(CC(C)C)C1=O
InChIInChI=1S/C14H26N4O3/c1-5-6-15-12(19)8-17(4)9-18-13(20)11(7-10(2)3)16-14(18)21/h10-11H,5-9H2,1-4H3,(H,15,19)(H,16,21)
InChIKeySHLMVRVBSWOXEM-UHFFFAOYSA-N
MW298.39 g/mol
LogP0.37
Rot. Bonds8

About 2-[methyl-[[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]methyl]amino]-N-propylacetamide

2-[methyl-[[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]methyl]amino]-N-propylacetamide (PubChem CID 24505268) has the molecular formula C14H26N4O3 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-[methyl-[[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]methyl]amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[methyl-[[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]methyl]amino]-N-propylacetamide
PubChem CID24505268
Molecular FormulaC14H26N4O3
Molecular Weight298.39 g/mol
Exact Mass298.20
IUPAC Name2-[methyl-[[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]methyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)CN1C(=O)NC(CC(C)C)C1=O
InChIInChI=1S/C14H26N4O3/c1-5-6-15-12(19)8-17(4)9-18-13(20)11(7-10(2)3)16-14(18)21/h10-11H,5-9H2,1-4H3,(H,15,19)(H,16,21)
InChIKeySHLMVRVBSWOXEM-UHFFFAOYSA-N
XLogP0.37
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 50.37
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-[methyl-[[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]methyl]amino]-N-propylacetamide?
The IUPAC name of 2-[methyl-[[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]methyl]amino]-N-propylacetamide (CID 24505268) is 2-[methyl-[[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]methyl]amino]-N-propylacetamide.
What is the SMILES notation for 2-[methyl-[[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]methyl]amino]-N-propylacetamide?
The canonical SMILES for 2-[methyl-[[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]methyl]amino]-N-propylacetamide is CCCNC(=O)CN(C)CN1C(=O)NC(CC(C)C)C1=O.
What is the InChIKey of 2-[methyl-[[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]methyl]amino]-N-propylacetamide?
The InChIKey is SHLMVRVBSWOXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O3/c1-5-6-15-12(19)8-17(4)9-18-13(20)11(7-10(2)3)16-14(18)21/h10-11H,5-9H2,1-4H3,(H,15,19)(H,16,21).
What are the key properties of 2-[methyl-[[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]methyl]amino]-N-propylacetamide?
2-[methyl-[[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]methyl]amino]-N-propylacetamide has a molecular weight of 298.39 g/mol, XLogP of 0.37, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]methyl]amino]-N-propylacetamide is sourced from PubChem (CID 24505268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).