(5R)-5-ethyl-3-hexadecan-8-ylimidazolidine-2,4-dione

C21H40N2O2 — CID 167278979

IUPAC(5R)-5-ethyl-3-hexadecan-8-ylimidazolidine-2,4-dione
SMILESCCCCCCCCC(CCCCCCC)N1C(=O)N[C@H](CC)C1=O
InChIInChI=1S/C21H40N2O2/c1-4-7-9-11-13-15-17-18(16-14-12-10-8-5-2)23-20(24)19(6-3)22-21(23)25/h18-19H,4-17H2,1-3H3,(H,22,25)/t18?,19-/m1/s1
InChIKeyVFIXKXDPCRUUSB-MUMRKEEXSA-N
MW352.56 g/mol
LogP5.80
Rot. Bonds15

About (5R)-5-ethyl-3-hexadecan-8-ylimidazolidine-2,4-dione

(5R)-5-ethyl-3-hexadecan-8-ylimidazolidine-2,4-dione (PubChem CID 167278979) has the molecular formula C21H40N2O2 and a molecular weight of 352.56 g/mol. Its IUPAC name is (5R)-5-ethyl-3-hexadecan-8-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-ethyl-3-hexadecan-8-ylimidazolidine-2,4-dione
PubChem CID167278979
Molecular FormulaC21H40N2O2
Molecular Weight352.56 g/mol
Exact Mass352.31
IUPAC Name(5R)-5-ethyl-3-hexadecan-8-ylimidazolidine-2,4-dione
SMILESCCCCCCCCC(CCCCCCC)N1C(=O)N[C@H](CC)C1=O
InChIInChI=1S/C21H40N2O2/c1-4-7-9-11-13-15-17-18(16-14-12-10-8-5-2)23-20(24)19(6-3)22-21(23)25/h18-19H,4-17H2,1-3H3,(H,22,25)/t18?,19-/m1/s1
InChIKeyVFIXKXDPCRUUSB-MUMRKEEXSA-N
XLogP5.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.56
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-5-ethyl-3-hexadecan-8-ylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-ethyl-3-hexadecan-8-ylimidazolidine-2,4-dione (CID 167278979) is (5R)-5-ethyl-3-hexadecan-8-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-ethyl-3-hexadecan-8-ylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-ethyl-3-hexadecan-8-ylimidazolidine-2,4-dione is CCCCCCCCC(CCCCCCC)N1C(=O)N[C@H](CC)C1=O.
What is the InChIKey of (5R)-5-ethyl-3-hexadecan-8-ylimidazolidine-2,4-dione?
The InChIKey is VFIXKXDPCRUUSB-MUMRKEEXSA-N. The full InChI is InChI=1S/C21H40N2O2/c1-4-7-9-11-13-15-17-18(16-14-12-10-8-5-2)23-20(24)19(6-3)22-21(23)25/h18-19H,4-17H2,1-3H3,(H,22,25)/t18?,19-/m1/s1.
What are the key properties of (5R)-5-ethyl-3-hexadecan-8-ylimidazolidine-2,4-dione?
(5R)-5-ethyl-3-hexadecan-8-ylimidazolidine-2,4-dione has a molecular weight of 352.56 g/mol, XLogP of 5.80, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-ethyl-3-hexadecan-8-ylimidazolidine-2,4-dione is sourced from PubChem (CID 167278979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).