N-(pyrrolidin-3-ylmethyl)dodecanamide

C17H34N2O — CID 80564166

IUPACN-(pyrrolidin-3-ylmethyl)dodecanamide
SMILESCCCCCCCCCCCC(=O)NCC1CCNC1
InChIInChI=1S/C17H34N2O/c1-2-3-4-5-6-7-8-9-10-11-17(20)19-15-16-12-13-18-14-16/h16,18H,2-15H2,1H3,(H,19,20)
InChIKeyVLKXQSMTRXWYPF-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.63
Rot. Bonds12

About N-(pyrrolidin-3-ylmethyl)dodecanamide

N-(pyrrolidin-3-ylmethyl)dodecanamide (PubChem CID 80564166) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is N-(pyrrolidin-3-ylmethyl)dodecanamide.

Molecular Properties

Compound NameN-(pyrrolidin-3-ylmethyl)dodecanamide
PubChem CID80564166
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC NameN-(pyrrolidin-3-ylmethyl)dodecanamide
SMILESCCCCCCCCCCCC(=O)NCC1CCNC1
InChIInChI=1S/C17H34N2O/c1-2-3-4-5-6-7-8-9-10-11-17(20)19-15-16-12-13-18-14-16/h16,18H,2-15H2,1H3,(H,19,20)
InChIKeyVLKXQSMTRXWYPF-UHFFFAOYSA-N
XLogP3.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(pyrrolidin-3-ylmethyl)dodecanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(pyrrolidin-3-ylmethyl)dodecanamide?
The IUPAC name of N-(pyrrolidin-3-ylmethyl)dodecanamide (CID 80564166) is N-(pyrrolidin-3-ylmethyl)dodecanamide.
What is the SMILES notation for N-(pyrrolidin-3-ylmethyl)dodecanamide?
The canonical SMILES for N-(pyrrolidin-3-ylmethyl)dodecanamide is CCCCCCCCCCCC(=O)NCC1CCNC1.
What is the InChIKey of N-(pyrrolidin-3-ylmethyl)dodecanamide?
The InChIKey is VLKXQSMTRXWYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-2-3-4-5-6-7-8-9-10-11-17(20)19-15-16-12-13-18-14-16/h16,18H,2-15H2,1H3,(H,19,20).
What are the key properties of N-(pyrrolidin-3-ylmethyl)dodecanamide?
N-(pyrrolidin-3-ylmethyl)dodecanamide has a molecular weight of 282.47 g/mol, XLogP of 3.63, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrrolidin-3-ylmethyl)dodecanamide is sourced from PubChem (CID 80564166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).