CID 11532467

C21H43N3O2+ — CID 11532467

IUPAC—
SMILESCC[N+](CC)(CC)CCCCCC(=O)NC1CC(C)(C)N([O])C(C)(C)C1
InChIInChI=1S/C21H42N3O2/c1-8-24(9-2,10-3)15-13-11-12-14-19(25)22-18-16-20(4,5)23(26)21(6,7)17-18/h18H,8-17H2,1-7H3/p+1
InChIKeyGMOOYWVPNJZOKR-UHFFFAOYSA-O
MW369.59 g/mol
LogP3.91
Rot. Bonds10

About CID 11532467

CID 11532467 (PubChem CID 11532467) has the molecular formula C21H43N3O2+ and a molecular weight of 369.59 g/mol.

Molecular Properties

Compound NameCID 11532467
PubChem CID11532467
Molecular FormulaC21H43N3O2+
Molecular Weight369.59 g/mol
Exact Mass369.33
IUPAC Name—
SMILESCC[N+](CC)(CC)CCCCCC(=O)NC1CC(C)(C)N([O])C(C)(C)C1
InChIInChI=1S/C21H42N3O2/c1-8-24(9-2,10-3)15-13-11-12-14-19(25)22-18-16-20(4,5)23(26)21(6,7)17-18/h18H,8-17H2,1-7H3/p+1
InChIKeyGMOOYWVPNJZOKR-UHFFFAOYSA-O
XLogP3.91
TPSA52.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.59
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze CID 11532467 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 CID 11532467?
The IUPAC name of CID 11532467 (CID 11532467) is not available.
What is the SMILES notation for CID 11532467?
The canonical SMILES for CID 11532467 is CC[N+](CC)(CC)CCCCCC(=O)NC1CC(C)(C)N([O])C(C)(C)C1.
What is the InChIKey of CID 11532467?
The InChIKey is GMOOYWVPNJZOKR-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H42N3O2/c1-8-24(9-2,10-3)15-13-11-12-14-19(25)22-18-16-20(4,5)23(26)21(6,7)17-18/h18H,8-17H2,1-7H3/p+1.
What are the key properties of CID 11532467?
CID 11532467 has a molecular weight of 369.59 g/mol, XLogP of 3.91, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11532467 is sourced from PubChem (CID 11532467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).