5,5-dimethyl-3-[3-[methyl-[(4-methylphenyl)methyl]amino]propyl]imidazolidine-2,4-dione

C17H25N3O2 — CID 87013212

IUPAC5,5-dimethyl-3-[3-[methyl-[(4-methylphenyl)methyl]amino]propyl]imidazolidine-2,4-dione
SMILESCc1ccc(CN(C)CCCN2C(=O)NC(C)(C)C2=O)cc1
InChIInChI=1S/C17H25N3O2/c1-13-6-8-14(9-7-13)12-19(4)10-5-11-20-15(21)17(2,3)18-16(20)22/h6-9H,5,10-12H2,1-4H3,(H,18,22)
InChIKeyWQKGGUFCENQBQK-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.15
Rot. Bonds6

About 5,5-dimethyl-3-[3-[methyl-[(4-methylphenyl)methyl]amino]propyl]imidazolidine-2,4-dione

5,5-dimethyl-3-[3-[methyl-[(4-methylphenyl)methyl]amino]propyl]imidazolidine-2,4-dione (PubChem CID 87013212) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 5,5-dimethyl-3-[3-[methyl-[(4-methylphenyl)methyl]amino]propyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-[3-[methyl-[(4-methylphenyl)methyl]amino]propyl]imidazolidine-2,4-dione
PubChem CID87013212
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name5,5-dimethyl-3-[3-[methyl-[(4-methylphenyl)methyl]amino]propyl]imidazolidine-2,4-dione
SMILESCc1ccc(CN(C)CCCN2C(=O)NC(C)(C)C2=O)cc1
InChIInChI=1S/C17H25N3O2/c1-13-6-8-14(9-7-13)12-19(4)10-5-11-20-15(21)17(2,3)18-16(20)22/h6-9H,5,10-12H2,1-4H3,(H,18,22)
InChIKeyWQKGGUFCENQBQK-UHFFFAOYSA-N
XLogP2.15
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.15
H-Bond Donors ≤ 51
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 5,5-dimethyl-3-[3-[methyl-[(4-methylphenyl)methyl]amino]propyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-[3-[methyl-[(4-methylphenyl)methyl]amino]propyl]imidazolidine-2,4-dione (CID 87013212) is 5,5-dimethyl-3-[3-[methyl-[(4-methylphenyl)methyl]amino]propyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-[3-[methyl-[(4-methylphenyl)methyl]amino]propyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-[3-[methyl-[(4-methylphenyl)methyl]amino]propyl]imidazolidine-2,4-dione is Cc1ccc(CN(C)CCCN2C(=O)NC(C)(C)C2=O)cc1.
What is the InChIKey of 5,5-dimethyl-3-[3-[methyl-[(4-methylphenyl)methyl]amino]propyl]imidazolidine-2,4-dione?
The InChIKey is WQKGGUFCENQBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-13-6-8-14(9-7-13)12-19(4)10-5-11-20-15(21)17(2,3)18-16(20)22/h6-9H,5,10-12H2,1-4H3,(H,18,22).
What are the key properties of 5,5-dimethyl-3-[3-[methyl-[(4-methylphenyl)methyl]amino]propyl]imidazolidine-2,4-dione?
5,5-dimethyl-3-[3-[methyl-[(4-methylphenyl)methyl]amino]propyl]imidazolidine-2,4-dione has a molecular weight of 303.41 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[3-[methyl-[(4-methylphenyl)methyl]amino]propyl]imidazolidine-2,4-dione is sourced from PubChem (CID 87013212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).