N-nitroso-N-octadecylacetamide

C20H40N2O2 — CID 172967572

IUPACN-nitroso-N-octadecylacetamide
SMILESCCCCCCCCCCCCCCCCCCN(N=O)C(C)=O
InChIInChI=1S/C20H40N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(21-24)20(2)23/h3-19H2,1-2H3
InChIKeyZCAFKIAYRZTWGE-UHFFFAOYSA-N
MW340.55 g/mol
LogP6.78
Rot. Bonds18

About N-nitroso-N-octadecylacetamide

N-nitroso-N-octadecylacetamide (PubChem CID 172967572) has the molecular formula C20H40N2O2 and a molecular weight of 340.55 g/mol. Its IUPAC name is N-nitroso-N-octadecylacetamide.

Molecular Properties

Compound NameN-nitroso-N-octadecylacetamide
PubChem CID172967572
Molecular FormulaC20H40N2O2
Molecular Weight340.55 g/mol
Exact Mass340.31
IUPAC NameN-nitroso-N-octadecylacetamide
SMILESCCCCCCCCCCCCCCCCCCN(N=O)C(C)=O
InChIInChI=1S/C20H40N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(21-24)20(2)23/h3-19H2,1-2H3
InChIKeyZCAFKIAYRZTWGE-UHFFFAOYSA-N
XLogP6.78
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.55
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-di(icosyl)acetamide
CID 57063838
N-acetyl-N-decylacetamide
CID 57029087
N-heptadecyl-N-tridecylacetamide
CID 172567567
N,N-di(pentadecyl)acetamide
CID 174726671
N-butyl-N-heptylacetamide
CID 91713167
N-decyl-N-methylacetamide
CID 22114742
N-heptyl-N-hydroxyacetamide
CID 71399613
ethane;N-methyl-N-octylacetamide
CID 142531459
acetic acid;N,N-didodecyldodecan-1-amine
CID 173289762
N,N,N',N'-tetrahexyloxamide
CID 6424911
acetic acid;decane
CID 172853582
acetic acid;nonane
CID 174272180

Frequently Asked Questions

What is the IUPAC name of N-nitroso-N-octadecylacetamide?
The IUPAC name of N-nitroso-N-octadecylacetamide (CID 172967572) is N-nitroso-N-octadecylacetamide.
What is the SMILES notation for N-nitroso-N-octadecylacetamide?
The canonical SMILES for N-nitroso-N-octadecylacetamide is CCCCCCCCCCCCCCCCCCN(N=O)C(C)=O.
What is the InChIKey of N-nitroso-N-octadecylacetamide?
The InChIKey is ZCAFKIAYRZTWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(21-24)20(2)23/h3-19H2,1-2H3.
What are the key properties of N-nitroso-N-octadecylacetamide?
N-nitroso-N-octadecylacetamide has a molecular weight of 340.55 g/mol, XLogP of 6.78, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-nitroso-N-octadecylacetamide is sourced from PubChem (CID 172967572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).