N-cyclohexylformamide;1-phenylethanone

C15H21NO2 — CID 174611681

IUPACN-cyclohexylformamide;1-phenylethanone
SMILESCC(=O)c1ccccc1.O=CNC1CCCCC1
InChIInChI=1S/C8H8O.C7H13NO/c1-7(9)8-5-3-2-4-6-8;9-6-8-7-4-2-1-3-5-7/h2-6H,1H3;6-7H,1-5H2,(H,8,9)
InChIKeyRDGAWTHOSIFYHV-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.95
Rot. Bonds3

About N-cyclohexylformamide;1-phenylethanone

N-cyclohexylformamide;1-phenylethanone (PubChem CID 174611681) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-cyclohexylformamide;1-phenylethanone.

Molecular Properties

Compound NameN-cyclohexylformamide;1-phenylethanone
PubChem CID174611681
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-cyclohexylformamide;1-phenylethanone
SMILESCC(=O)c1ccccc1.O=CNC1CCCCC1
InChIInChI=1S/C8H8O.C7H13NO/c1-7(9)8-5-3-2-4-6-8;9-6-8-7-4-2-1-3-5-7/h2-6H,1H3;6-7H,1-5H2,(H,8,9)
InChIKeyRDGAWTHOSIFYHV-UHFFFAOYSA-N
XLogP2.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cyclohexanol;1-phenylethanone
CID 22467660
1-(cyclotetradecaheptaenyl)ethanone
CID 90871438
N-cyclobutylformamide;methanol
CID 142523729
1-(7-cyclononyloxycyclodeca-1,3,5,7,9-pentaen-1-yl)ethanone
CID 91060627
lithium 1-phenylethanone
CID 22269591
iron;1-phenylethanone
CID 70488357
acetic acid;1-phenylethanone
CID 159392478
potassium 1-phenylethanone
CID 19980201
N-cyclohexyl-2-oxo-2-phenylacetamide
CID 11436176
1-phenylethanone;hydrate;hydrochloride
CID 21258111
ethane;1-phenylethanone;propan-2-one
CID 91456675
CID 173404741
CID 173404741

Frequently Asked Questions

What is the IUPAC name of N-cyclohexylformamide;1-phenylethanone?
The IUPAC name of N-cyclohexylformamide;1-phenylethanone (CID 174611681) is N-cyclohexylformamide;1-phenylethanone.
What is the SMILES notation for N-cyclohexylformamide;1-phenylethanone?
The canonical SMILES for N-cyclohexylformamide;1-phenylethanone is CC(=O)c1ccccc1.O=CNC1CCCCC1.
What is the InChIKey of N-cyclohexylformamide;1-phenylethanone?
The InChIKey is RDGAWTHOSIFYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O.C7H13NO/c1-7(9)8-5-3-2-4-6-8;9-6-8-7-4-2-1-3-5-7/h2-6H,1H3;6-7H,1-5H2,(H,8,9).
What are the key properties of N-cyclohexylformamide;1-phenylethanone?
N-cyclohexylformamide;1-phenylethanone has a molecular weight of 247.34 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexylformamide;1-phenylethanone is sourced from PubChem (CID 174611681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).