CID 156540534

C17H35NNaO2 — CID 156540534

IUPAC—
SMILESCCCCCCCCCCCCCCOC(=O)CNC.[Na]
InChIInChI=1S/C17H35NO2.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-17(19)16-18-2;/h18H,3-16H2,1-2H3;
InChIKeyPRHYGNZXHZSITI-UHFFFAOYSA-N
MW308.46 g/mol
LogP4.07
Rot. Bonds15

About CID 156540534

CID 156540534 (PubChem CID 156540534) has the molecular formula C17H35NNaO2 and a molecular weight of 308.46 g/mol.

Molecular Properties

Compound NameCID 156540534
PubChem CID156540534
Molecular FormulaC17H35NNaO2
Molecular Weight308.46 g/mol
Exact Mass308.26
IUPAC Name—
SMILESCCCCCCCCCCCCCCOC(=O)CNC.[Na]
InChIInChI=1S/C17H35NO2.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-17(19)16-18-2;/h18H,3-16H2,1-2H3;
InChIKeyPRHYGNZXHZSITI-UHFFFAOYSA-N
XLogP4.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.46
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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1-O-methyl 6-O-octadecyl hexanedioate
CID 91718016
hexyl 2-(ethoxycarbonylamino)acetate
CID 6421848
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CID 3018053

Frequently Asked Questions

What is the IUPAC name of CID 156540534?
The IUPAC name of CID 156540534 (CID 156540534) is not available.
What is the SMILES notation for CID 156540534?
The canonical SMILES for CID 156540534 is CCCCCCCCCCCCCCOC(=O)CNC.[Na].
What is the InChIKey of CID 156540534?
The InChIKey is PRHYGNZXHZSITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO2.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-17(19)16-18-2;/h18H,3-16H2,1-2H3;.
What are the key properties of CID 156540534?
CID 156540534 has a molecular weight of 308.46 g/mol, XLogP of 4.07, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156540534 is sourced from PubChem (CID 156540534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).