CID 58420818

C25H45N2O3 — CID 58420818

IUPAC—
SMILESCCCCCCCCCCCCC1CC(=O)N(C2CC(C)(C)N([O])C(C)(C)C2)C1=O
InChIInChI=1S/C25H45N2O3/c1-6-7-8-9-10-11-12-13-14-15-16-20-17-22(28)26(23(20)29)21-18-24(2,3)27(30)25(4,5)19-21/h20-21H,6-19H2,1-5H3
InChIKeyDVXYHLMMASJEIN-UHFFFAOYSA-N
MW421.65 g/mol
LogP6.04
Rot. Bonds12

About CID 58420818

CID 58420818 (PubChem CID 58420818) has the molecular formula C25H45N2O3 and a molecular weight of 421.65 g/mol.

Molecular Properties

Compound NameCID 58420818
PubChem CID58420818
Molecular FormulaC25H45N2O3
Molecular Weight421.65 g/mol
Exact Mass421.34
IUPAC Name—
SMILESCCCCCCCCCCCCC1CC(=O)N(C2CC(C)(C)N([O])C(C)(C)C2)C1=O
InChIInChI=1S/C25H45N2O3/c1-6-7-8-9-10-11-12-13-14-15-16-20-17-22(28)26(23(20)29)21-18-24(2,3)27(30)25(4,5)19-21/h20-21H,6-19H2,1-5H3
InChIKeyDVXYHLMMASJEIN-UHFFFAOYSA-N
XLogP6.04
TPSA60.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.65
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 58420818?
The IUPAC name of CID 58420818 (CID 58420818) is not available.
What is the SMILES notation for CID 58420818?
The canonical SMILES for CID 58420818 is CCCCCCCCCCCCC1CC(=O)N(C2CC(C)(C)N([O])C(C)(C)C2)C1=O.
What is the InChIKey of CID 58420818?
The InChIKey is DVXYHLMMASJEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H45N2O3/c1-6-7-8-9-10-11-12-13-14-15-16-20-17-22(28)26(23(20)29)21-18-24(2,3)27(30)25(4,5)19-21/h20-21H,6-19H2,1-5H3.
What are the key properties of CID 58420818?
CID 58420818 has a molecular weight of 421.65 g/mol, XLogP of 6.04, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58420818 is sourced from PubChem (CID 58420818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).