CID 155195867

C18H37NNaO2 — CID 155195867

IUPAC—
SMILESCCCCCCCCCCCCCCN(C)CCC(=O)O.[Na]
InChIInChI=1S/C18H37NO2.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-19(2)17-15-18(20)21;/h3-17H2,1-2H3,(H,20,21);
InChIKeyNXOSOYIOJOPWGJ-UHFFFAOYSA-N
MW322.49 g/mol
LogP4.71
Rot. Bonds16

About CID 155195867

CID 155195867 (PubChem CID 155195867) has the molecular formula C18H37NNaO2 and a molecular weight of 322.49 g/mol.

Molecular Properties

Compound NameCID 155195867
PubChem CID155195867
Molecular FormulaC18H37NNaO2
Molecular Weight322.49 g/mol
Exact Mass322.27
IUPAC Name—
SMILESCCCCCCCCCCCCCCN(C)CCC(=O)O.[Na]
InChIInChI=1S/C18H37NO2.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-19(2)17-15-18(20)21;/h3-17H2,1-2H3,(H,20,21);
InChIKeyNXOSOYIOJOPWGJ-UHFFFAOYSA-N
XLogP4.71
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 54.71
H-Bond Donors ≤ 51
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 CID 155195867?
The IUPAC name of CID 155195867 (CID 155195867) is not available.
What is the SMILES notation for CID 155195867?
The canonical SMILES for CID 155195867 is CCCCCCCCCCCCCCN(C)CCC(=O)O.[Na].
What is the InChIKey of CID 155195867?
The InChIKey is NXOSOYIOJOPWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO2.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-19(2)17-15-18(20)21;/h3-17H2,1-2H3,(H,20,21);.
What are the key properties of CID 155195867?
CID 155195867 has a molecular weight of 322.49 g/mol, XLogP of 4.71, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155195867 is sourced from PubChem (CID 155195867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).