N-hexadecyl-2,4-dioxoimidazolidine-1-carboxamide

C20H37N3O3 — CID 67309310

IUPACN-hexadecyl-2,4-dioxoimidazolidine-1-carboxamide
SMILESCCCCCCCCCCCCCCCCNC(=O)N1CC(=O)NC1=O
InChIInChI=1S/C20H37N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-19(25)23-17-18(24)22-20(23)26/h2-17H2,1H3,(H,21,25)(H,22,24,26)
InChIKeyOPCWCYFLEBGWJT-UHFFFAOYSA-N
MW367.53 g/mol
LogP4.73
Rot. Bonds15

About N-hexadecyl-2,4-dioxoimidazolidine-1-carboxamide

N-hexadecyl-2,4-dioxoimidazolidine-1-carboxamide (PubChem CID 67309310) has the molecular formula C20H37N3O3 and a molecular weight of 367.53 g/mol. Its IUPAC name is N-hexadecyl-2,4-dioxoimidazolidine-1-carboxamide.

Molecular Properties

Compound NameN-hexadecyl-2,4-dioxoimidazolidine-1-carboxamide
PubChem CID67309310
Molecular FormulaC20H37N3O3
Molecular Weight367.53 g/mol
Exact Mass367.28
IUPAC NameN-hexadecyl-2,4-dioxoimidazolidine-1-carboxamide
SMILESCCCCCCCCCCCCCCCCNC(=O)N1CC(=O)NC1=O
InChIInChI=1S/C20H37N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-19(25)23-17-18(24)22-20(23)26/h2-17H2,1H3,(H,21,25)(H,22,24,26)
InChIKeyOPCWCYFLEBGWJT-UHFFFAOYSA-N
XLogP4.73
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.53
LogP ≤ 54.73
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-hexadecyl-2,4-dioxoimidazolidine-1-carboxamide?
The IUPAC name of N-hexadecyl-2,4-dioxoimidazolidine-1-carboxamide (CID 67309310) is N-hexadecyl-2,4-dioxoimidazolidine-1-carboxamide.
What is the SMILES notation for N-hexadecyl-2,4-dioxoimidazolidine-1-carboxamide?
The canonical SMILES for N-hexadecyl-2,4-dioxoimidazolidine-1-carboxamide is CCCCCCCCCCCCCCCCNC(=O)N1CC(=O)NC1=O.
What is the InChIKey of N-hexadecyl-2,4-dioxoimidazolidine-1-carboxamide?
The InChIKey is OPCWCYFLEBGWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-19(25)23-17-18(24)22-20(23)26/h2-17H2,1H3,(H,21,25)(H,22,24,26).
What are the key properties of N-hexadecyl-2,4-dioxoimidazolidine-1-carboxamide?
N-hexadecyl-2,4-dioxoimidazolidine-1-carboxamide has a molecular weight of 367.53 g/mol, XLogP of 4.73, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexadecyl-2,4-dioxoimidazolidine-1-carboxamide is sourced from PubChem (CID 67309310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).