N-cyclohexyl-N-nitrosoacetamide

C8H14N2O2 — CID 13464904

IUPACN-cyclohexyl-N-nitrosoacetamide
SMILESCC(=O)N(N=O)C1CCCCC1
InChIInChI=1S/C8H14N2O2/c1-7(11)10(9-12)8-5-3-2-4-6-8/h8H,2-6H2,1H3
InChIKeyDHOIXSURGHIPQL-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.85
Rot. Bonds2

About N-cyclohexyl-N-nitrosoacetamide

N-cyclohexyl-N-nitrosoacetamide (PubChem CID 13464904) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is N-cyclohexyl-N-nitrosoacetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-nitrosoacetamide
PubChem CID13464904
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC NameN-cyclohexyl-N-nitrosoacetamide
SMILESCC(=O)N(N=O)C1CCCCC1
InChIInChI=1S/C8H14N2O2/c1-7(11)10(9-12)8-5-3-2-4-6-8/h8H,2-6H2,1H3
InChIKeyDHOIXSURGHIPQL-UHFFFAOYSA-N
XLogP1.85
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclobutyl-N-nitrosoacetamide
CID 119097713
N-cyclononyl-N-hydroxyacetamide
CID 135197506
N-cyclohexylacetohydrazide
CID 89012430
N,N-dicyclohexylnitrous amide
CID 13697
1-cyclopropyl-3-methyl-1-nitrosourea
CID 139944724
N-(cyclobutylmethyl)-N-cyclohexylacetamide
CID 91799072
CID 164812897
CID 164812897
N-cyclohexyl-N-(1-hydroxycyclohexyl)acetamide
CID 67938352
N-cyclohexyl-N-methyl-2-oxopropanamide
CID 115175558
1-(dicyclohexylamino)propan-2-one
CID 43219211
N-butan-2-yl-N-cycloheptylacetamide
CID 102519619
2-[[cyclohexyl(methyl)amino]-nitrosoamino]acetamide
CID 54018286

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-nitrosoacetamide?
The IUPAC name of N-cyclohexyl-N-nitrosoacetamide (CID 13464904) is N-cyclohexyl-N-nitrosoacetamide.
What is the SMILES notation for N-cyclohexyl-N-nitrosoacetamide?
The canonical SMILES for N-cyclohexyl-N-nitrosoacetamide is CC(=O)N(N=O)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-nitrosoacetamide?
The InChIKey is DHOIXSURGHIPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-7(11)10(9-12)8-5-3-2-4-6-8/h8H,2-6H2,1H3.
What are the key properties of N-cyclohexyl-N-nitrosoacetamide?
N-cyclohexyl-N-nitrosoacetamide has a molecular weight of 170.21 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-nitrosoacetamide is sourced from PubChem (CID 13464904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).