CID 175920376

C19H37AuNNaO3 — CID 175920376

IUPAC—
SMILESCCCCCCCCCCCCCCCC(=O)OC(=O)CNC.[Au].[Na]
InChIInChI=1S/C19H37NO3.Au.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(21)23-19(22)17-20-2;;/h20H,3-17H2,1-2H3;;
InChIKeyABHQWILSMFPMJO-UHFFFAOYSA-N
MW547.47 g/mol
LogP4.37
Rot. Bonds16

About CID 175920376

CID 175920376 (PubChem CID 175920376) has the molecular formula C19H37AuNNaO3 and a molecular weight of 547.47 g/mol.

Molecular Properties

Compound NameCID 175920376
PubChem CID175920376
Molecular FormulaC19H37AuNNaO3
Molecular Weight547.47 g/mol
Exact Mass547.23
IUPAC Name—
SMILESCCCCCCCCCCCCCCCC(=O)OC(=O)CNC.[Au].[Na]
InChIInChI=1S/C19H37NO3.Au.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(21)23-19(22)17-20-2;;/h20H,3-17H2,1-2H3;;
InChIKeyABHQWILSMFPMJO-UHFFFAOYSA-N
XLogP4.37
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.47
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

[2-(methylamino)acetyl] octadecanoate
CID 57485427
azane;[2-(methylamino)acetyl] tetradecanoate
CID 87240252
CID 175839968
CID 175839968
hexatriacontanoyl heptatriacontanoate
CID 135353262
octadecanoyl octatriacontanoate
CID 141042185
pentadecanoyl hexadecanoate
CID 87499774
ditetradecanoyl hexanedioate
CID 175560209
henicosanoyl docosanoate
CID 175302110
diheptanoyl propanedioate
CID 57094190
ethane;octadecanoyl octadecanoate
CID 174636018
dodecanoyl dodecanoate;sulfane
CID 174888621
[2-(ethylamino)acetyl] dodecanoate
CID 87803500

Frequently Asked Questions

What is the IUPAC name of CID 175920376?
The IUPAC name of CID 175920376 (CID 175920376) is not available.
What is the SMILES notation for CID 175920376?
The canonical SMILES for CID 175920376 is CCCCCCCCCCCCCCCC(=O)OC(=O)CNC.[Au].[Na].
What is the InChIKey of CID 175920376?
The InChIKey is ABHQWILSMFPMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO3.Au.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(21)23-19(22)17-20-2;;/h20H,3-17H2,1-2H3;;.
What are the key properties of CID 175920376?
CID 175920376 has a molecular weight of 547.47 g/mol, XLogP of 4.37, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175920376 is sourced from PubChem (CID 175920376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).