5-methyl-3-[(6-propoxy-3-pyridinyl)methyl]-5-propylimidazolidine-2,4-dione

C16H23N3O3 — CID 75517291

IUPAC5-methyl-3-[(6-propoxy-3-pyridinyl)methyl]-5-propylimidazolidine-2,4-dione
SMILESCCCOc1ccc(CN2C(=O)NC(C)(CCC)C2=O)cn1
InChIInChI=1S/C16H23N3O3/c1-4-8-16(3)14(20)19(15(21)18-16)11-12-6-7-13(17-10-12)22-9-5-2/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,18,21)
InChIKeyORJGCMMECRFJHO-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.48
Rot. Bonds7

About 5-methyl-3-[(6-propoxy-3-pyridinyl)methyl]-5-propylimidazolidine-2,4-dione

5-methyl-3-[(6-propoxy-3-pyridinyl)methyl]-5-propylimidazolidine-2,4-dione (PubChem CID 75517291) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 5-methyl-3-[(6-propoxy-3-pyridinyl)methyl]-5-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-3-[(6-propoxy-3-pyridinyl)methyl]-5-propylimidazolidine-2,4-dione
PubChem CID75517291
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name5-methyl-3-[(6-propoxy-3-pyridinyl)methyl]-5-propylimidazolidine-2,4-dione
SMILESCCCOc1ccc(CN2C(=O)NC(C)(CCC)C2=O)cn1
InChIInChI=1S/C16H23N3O3/c1-4-8-16(3)14(20)19(15(21)18-16)11-12-6-7-13(17-10-12)22-9-5-2/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,18,21)
InChIKeyORJGCMMECRFJHO-UHFFFAOYSA-N
XLogP2.48
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
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 5-methyl-3-[(6-propoxy-3-pyridinyl)methyl]-5-propylimidazolidine-2,4-dione?
The IUPAC name of 5-methyl-3-[(6-propoxy-3-pyridinyl)methyl]-5-propylimidazolidine-2,4-dione (CID 75517291) is 5-methyl-3-[(6-propoxy-3-pyridinyl)methyl]-5-propylimidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-3-[(6-propoxy-3-pyridinyl)methyl]-5-propylimidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-3-[(6-propoxy-3-pyridinyl)methyl]-5-propylimidazolidine-2,4-dione is CCCOc1ccc(CN2C(=O)NC(C)(CCC)C2=O)cn1.
What is the InChIKey of 5-methyl-3-[(6-propoxy-3-pyridinyl)methyl]-5-propylimidazolidine-2,4-dione?
The InChIKey is ORJGCMMECRFJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-4-8-16(3)14(20)19(15(21)18-16)11-12-6-7-13(17-10-12)22-9-5-2/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,18,21).
What are the key properties of 5-methyl-3-[(6-propoxy-3-pyridinyl)methyl]-5-propylimidazolidine-2,4-dione?
5-methyl-3-[(6-propoxy-3-pyridinyl)methyl]-5-propylimidazolidine-2,4-dione has a molecular weight of 305.38 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(6-propoxy-3-pyridinyl)methyl]-5-propylimidazolidine-2,4-dione is sourced from PubChem (CID 75517291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).