CID 57354386

C9H19NNaO2 — CID 57354386

IUPAC—
SMILESCC(C)CCCCCC(=O)NO.[Na]
InChIInChI=1S/C9H19NO2.Na/c1-8(2)6-4-3-5-7-9(11)10-12;/h8,12H,3-7H2,1-2H3,(H,10,11);
InChIKeyMPVCZXIUVZLTDG-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.72
Rot. Bonds6

About CID 57354386

CID 57354386 (PubChem CID 57354386) has the molecular formula C9H19NNaO2 and a molecular weight of 196.25 g/mol.

Molecular Properties

Compound NameCID 57354386
PubChem CID57354386
Molecular FormulaC9H19NNaO2
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name—
SMILESCC(C)CCCCCC(=O)NO.[Na]
InChIInChI=1S/C9H19NO2.Na/c1-8(2)6-4-3-5-7-9(11)10-12;/h8,12H,3-7H2,1-2H3,(H,10,11);
InChIKeyMPVCZXIUVZLTDG-UHFFFAOYSA-N
XLogP1.72
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

11-methyl-N-oxidododecanamide
CID 71301385
N,7-dimethyloctanamide;molecular hydrogen
CID 164603110
7-methyl-N-oxidooctanamide
CID 56842822
N'-hydroxy-2-methyloctanediamide
CID 142680471
N-methoxy-7-methyloctanamide
CID 174552254
N-(1-hydroxypropan-2-yl)-18-methylnonadecanamide
CID 18431763
16-methyl-N-[1-(16-methylheptadecanoylamino)propyl]heptadecanamide
CID 173047475
2-(7-methyloctanoylamino)acetic acid
CID 21289225
N,10-dihydroxyoctadecanamide
CID 146268733
12-methyltridec-2-en-4-one
CID 123882041
N-(2-aminoethyl)-7-methyloctanamide
CID 145373236
3-(7-methyloctanoylamino)propanoic acid
CID 115729984

Frequently Asked Questions

What is the IUPAC name of CID 57354386?
The IUPAC name of CID 57354386 (CID 57354386) is not available.
What is the SMILES notation for CID 57354386?
The canonical SMILES for CID 57354386 is CC(C)CCCCCC(=O)NO.[Na].
What is the InChIKey of CID 57354386?
The InChIKey is MPVCZXIUVZLTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2.Na/c1-8(2)6-4-3-5-7-9(11)10-12;/h8,12H,3-7H2,1-2H3,(H,10,11);.
What are the key properties of CID 57354386?
CID 57354386 has a molecular weight of 196.25 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57354386 is sourced from PubChem (CID 57354386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).