3-[[di(tetradecyl)amino]methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione

C43H71N3O2 — CID 54247710

IUPAC3-[[di(tetradecyl)amino]methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
SMILESCCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)CN1C(=O)NC(C)(c2cccc3ccccc23)C1=O
InChIInChI=1S/C43H71N3O2/c1-4-6-8-10-12-14-16-18-20-22-24-28-35-45(36-29-25-23-21-19-17-15-13-11-9-7-5-2)37-46-41(47)43(3,44-42(46)48)40-34-30-32-38-31-26-27-33-39(38)40/h26-27,30-34H,4-25,28-29,35-37H2,1-3H3,(H,44,48)
InChIKeyQULWUOIGMXMWIR-UHFFFAOYSA-N
MW662.06 g/mol
LogP12.27
Rot. Bonds29

About 3-[[di(tetradecyl)amino]methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione

3-[[di(tetradecyl)amino]methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione (PubChem CID 54247710) has the molecular formula C43H71N3O2 and a molecular weight of 662.06 g/mol. Its IUPAC name is 3-[[di(tetradecyl)amino]methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[di(tetradecyl)amino]methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
PubChem CID54247710
Molecular FormulaC43H71N3O2
Molecular Weight662.06 g/mol
Exact Mass661.55
IUPAC Name3-[[di(tetradecyl)amino]methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
SMILESCCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)CN1C(=O)NC(C)(c2cccc3ccccc23)C1=O
InChIInChI=1S/C43H71N3O2/c1-4-6-8-10-12-14-16-18-20-22-24-28-35-45(36-29-25-23-21-19-17-15-13-11-9-7-5-2)37-46-41(47)43(3,44-42(46)48)40-34-30-32-38-31-26-27-33-39(38)40/h26-27,30-34H,4-25,28-29,35-37H2,1-3H3,(H,44,48)
InChIKeyQULWUOIGMXMWIR-UHFFFAOYSA-N
XLogP12.27
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds29
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.06
LogP ≤ 512.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[di(tetradecyl)amino]methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione?
The IUPAC name of 3-[[di(tetradecyl)amino]methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione (CID 54247710) is 3-[[di(tetradecyl)amino]methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[[di(tetradecyl)amino]methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione?
The canonical SMILES for 3-[[di(tetradecyl)amino]methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione is CCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)CN1C(=O)NC(C)(c2cccc3ccccc23)C1=O.
What is the InChIKey of 3-[[di(tetradecyl)amino]methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione?
The InChIKey is QULWUOIGMXMWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H71N3O2/c1-4-6-8-10-12-14-16-18-20-22-24-28-35-45(36-29-25-23-21-19-17-15-13-11-9-7-5-2)37-46-41(47)43(3,44-42(46)48)40-34-30-32-38-31-26-27-33-39(38)40/h26-27,30-34H,4-25,28-29,35-37H2,1-3H3,(H,44,48).
What are the key properties of 3-[[di(tetradecyl)amino]methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione?
3-[[di(tetradecyl)amino]methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione has a molecular weight of 662.06 g/mol, XLogP of 12.27, 29 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[di(tetradecyl)amino]methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione is sourced from PubChem (CID 54247710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).