N-cyclopentyloxy-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide

C13H21N3O4 — CID 83206350

IUPACN-cyclopentyloxy-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
SMILESCC1(C)NC(=O)N(CCC(=O)NOC2CCCC2)C1=O
InChIInChI=1S/C13H21N3O4/c1-13(2)11(18)16(12(19)14-13)8-7-10(17)15-20-9-5-3-4-6-9/h9H,3-8H2,1-2H3,(H,14,19)(H,15,17)
InChIKeyKKLVINAVXCQYQR-UHFFFAOYSA-N
MW283.33 g/mol
LogP0.70
Rot. Bonds5

About N-cyclopentyloxy-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide

N-cyclopentyloxy-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide (PubChem CID 83206350) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-cyclopentyloxy-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-cyclopentyloxy-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
PubChem CID83206350
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC NameN-cyclopentyloxy-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
SMILESCC1(C)NC(=O)N(CCC(=O)NOC2CCCC2)C1=O
InChIInChI=1S/C13H21N3O4/c1-13(2)11(18)16(12(19)14-13)8-7-10(17)15-20-9-5-3-4-6-9/h9H,3-8H2,1-2H3,(H,14,19)(H,15,17)
InChIKeyKKLVINAVXCQYQR-UHFFFAOYSA-N
XLogP0.70
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyloxy-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide?
The IUPAC name of N-cyclopentyloxy-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide (CID 83206350) is N-cyclopentyloxy-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide.
What is the SMILES notation for N-cyclopentyloxy-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide?
The canonical SMILES for N-cyclopentyloxy-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide is CC1(C)NC(=O)N(CCC(=O)NOC2CCCC2)C1=O.
What is the InChIKey of N-cyclopentyloxy-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide?
The InChIKey is KKLVINAVXCQYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-13(2)11(18)16(12(19)14-13)8-7-10(17)15-20-9-5-3-4-6-9/h9H,3-8H2,1-2H3,(H,14,19)(H,15,17).
What are the key properties of N-cyclopentyloxy-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide?
N-cyclopentyloxy-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide has a molecular weight of 283.33 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyloxy-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide is sourced from PubChem (CID 83206350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).