N-hexadecylpyrrolidine-2-carboxamide

C21H42N2O — CID 14373245

IUPACN-hexadecylpyrrolidine-2-carboxamide
SMILESCCCCCCCCCCCCCCCCNC(=O)C1CCCN1
InChIInChI=1S/C21H42N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-23-21(24)20-17-16-19-22-20/h20,22H,2-19H2,1H3,(H,23,24)
InChIKeyAGJSOIWNUGEPCF-UHFFFAOYSA-N
MW338.58 g/mol
LogP5.34
Rot. Bonds16

About N-hexadecylpyrrolidine-2-carboxamide

N-hexadecylpyrrolidine-2-carboxamide (PubChem CID 14373245) has the molecular formula C21H42N2O and a molecular weight of 338.58 g/mol. Its IUPAC name is N-hexadecylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-hexadecylpyrrolidine-2-carboxamide
PubChem CID14373245
Molecular FormulaC21H42N2O
Molecular Weight338.58 g/mol
Exact Mass338.33
IUPAC NameN-hexadecylpyrrolidine-2-carboxamide
SMILESCCCCCCCCCCCCCCCCNC(=O)C1CCCN1
InChIInChI=1S/C21H42N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-23-21(24)20-17-16-19-22-20/h20,22H,2-19H2,1H3,(H,23,24)
InChIKeyAGJSOIWNUGEPCF-UHFFFAOYSA-N
XLogP5.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.58
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hexadecylpyrrolidine-2-carboxamide?
The IUPAC name of N-hexadecylpyrrolidine-2-carboxamide (CID 14373245) is N-hexadecylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-hexadecylpyrrolidine-2-carboxamide?
The canonical SMILES for N-hexadecylpyrrolidine-2-carboxamide is CCCCCCCCCCCCCCCCNC(=O)C1CCCN1.
What is the InChIKey of N-hexadecylpyrrolidine-2-carboxamide?
The InChIKey is AGJSOIWNUGEPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-23-21(24)20-17-16-19-22-20/h20,22H,2-19H2,1H3,(H,23,24).
What are the key properties of N-hexadecylpyrrolidine-2-carboxamide?
N-hexadecylpyrrolidine-2-carboxamide has a molecular weight of 338.58 g/mol, XLogP of 5.34, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexadecylpyrrolidine-2-carboxamide is sourced from PubChem (CID 14373245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).