3-[2-(azocan-1-yl)-2-oxoethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione

C20H27N3O3 — CID 17400212

IUPAC3-[2-(azocan-1-yl)-2-oxoethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione
SMILESCc1ccc(N2C(=O)N(CC(=O)N3CCCCCCC3)C(=O)C2C)cc1
InChIInChI=1S/C20H27N3O3/c1-15-8-10-17(11-9-15)23-16(2)19(25)22(20(23)26)14-18(24)21-12-6-4-3-5-7-13-21/h8-11,16H,3-7,12-14H2,1-2H3
InChIKeyYQFRDWDKKHHWFV-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.94
Rot. Bonds3

About 3-[2-(azocan-1-yl)-2-oxoethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione

3-[2-(azocan-1-yl)-2-oxoethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione (PubChem CID 17400212) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 3-[2-(azocan-1-yl)-2-oxoethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(azocan-1-yl)-2-oxoethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione
PubChem CID17400212
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name3-[2-(azocan-1-yl)-2-oxoethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione
SMILESCc1ccc(N2C(=O)N(CC(=O)N3CCCCCCC3)C(=O)C2C)cc1
InChIInChI=1S/C20H27N3O3/c1-15-8-10-17(11-9-15)23-16(2)19(25)22(20(23)26)14-18(24)21-12-6-4-3-5-7-13-21/h8-11,16H,3-7,12-14H2,1-2H3
InChIKeyYQFRDWDKKHHWFV-UHFFFAOYSA-N
XLogP2.94
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(azocan-1-yl)-2-oxoethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[2-(azocan-1-yl)-2-oxoethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione (CID 17400212) is 3-[2-(azocan-1-yl)-2-oxoethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(azocan-1-yl)-2-oxoethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(azocan-1-yl)-2-oxoethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione is Cc1ccc(N2C(=O)N(CC(=O)N3CCCCCCC3)C(=O)C2C)cc1.
What is the InChIKey of 3-[2-(azocan-1-yl)-2-oxoethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione?
The InChIKey is YQFRDWDKKHHWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-15-8-10-17(11-9-15)23-16(2)19(25)22(20(23)26)14-18(24)21-12-6-4-3-5-7-13-21/h8-11,16H,3-7,12-14H2,1-2H3.
What are the key properties of 3-[2-(azocan-1-yl)-2-oxoethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione?
3-[2-(azocan-1-yl)-2-oxoethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione has a molecular weight of 357.45 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(azocan-1-yl)-2-oxoethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 17400212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).