(5R)-3-(15-aminononacosan-15-yl)-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione

C43H71N3O2 — CID 70594867

IUPAC(5R)-3-(15-aminononacosan-15-yl)-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
SMILESCCCCCCCCCCCCCCC(N)(CCCCCCCCCCCCCC)N1C(=O)N[C@](C)(c2cccc3ccccc23)C1=O
InChIInChI=1S/C43H71N3O2/c1-4-6-8-10-12-14-16-18-20-22-24-28-35-43(44,36-29-25-23-21-19-17-15-13-11-9-7-5-2)46-40(47)42(3,45-41(46)48)39-34-30-32-37-31-26-27-33-38(37)39/h26-27,30-34H,4-25,28-29,35-36,44H2,1-3H3,(H,45,48)/t42-/m1/s1
InChIKeyUAWZHLIZIFBJSQ-HUESYALOSA-N
MW662.06 g/mol
LogP12.44
Rot. Bonds28

About (5R)-3-(15-aminononacosan-15-yl)-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione

(5R)-3-(15-aminononacosan-15-yl)-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione (PubChem CID 70594867) has the molecular formula C43H71N3O2 and a molecular weight of 662.06 g/mol. Its IUPAC name is (5R)-3-(15-aminononacosan-15-yl)-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-(15-aminononacosan-15-yl)-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
PubChem CID70594867
Molecular FormulaC43H71N3O2
Molecular Weight662.06 g/mol
Exact Mass661.55
IUPAC Name(5R)-3-(15-aminononacosan-15-yl)-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
SMILESCCCCCCCCCCCCCCC(N)(CCCCCCCCCCCCCC)N1C(=O)N[C@](C)(c2cccc3ccccc23)C1=O
InChIInChI=1S/C43H71N3O2/c1-4-6-8-10-12-14-16-18-20-22-24-28-35-43(44,36-29-25-23-21-19-17-15-13-11-9-7-5-2)46-40(47)42(3,45-41(46)48)39-34-30-32-37-31-26-27-33-38(37)39/h26-27,30-34H,4-25,28-29,35-36,44H2,1-3H3,(H,45,48)/t42-/m1/s1
InChIKeyUAWZHLIZIFBJSQ-HUESYALOSA-N
XLogP12.44
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds28
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.06
LogP ≤ 512.44
H-Bond Donors ≤ 52
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 (5R)-3-(15-aminononacosan-15-yl)-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-(15-aminononacosan-15-yl)-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione (CID 70594867) is (5R)-3-(15-aminononacosan-15-yl)-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-(15-aminononacosan-15-yl)-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-(15-aminononacosan-15-yl)-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione is CCCCCCCCCCCCCCC(N)(CCCCCCCCCCCCCC)N1C(=O)N[C@](C)(c2cccc3ccccc23)C1=O.
What is the InChIKey of (5R)-3-(15-aminononacosan-15-yl)-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione?
The InChIKey is UAWZHLIZIFBJSQ-HUESYALOSA-N. The full InChI is InChI=1S/C43H71N3O2/c1-4-6-8-10-12-14-16-18-20-22-24-28-35-43(44,36-29-25-23-21-19-17-15-13-11-9-7-5-2)46-40(47)42(3,45-41(46)48)39-34-30-32-37-31-26-27-33-38(37)39/h26-27,30-34H,4-25,28-29,35-36,44H2,1-3H3,(H,45,48)/t42-/m1/s1.
What are the key properties of (5R)-3-(15-aminononacosan-15-yl)-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione?
(5R)-3-(15-aminononacosan-15-yl)-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione has a molecular weight of 662.06 g/mol, XLogP of 12.44, 28 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(15-aminononacosan-15-yl)-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione is sourced from PubChem (CID 70594867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).