N-phenacylcyclohexanecarboxamide

C15H19NO2 — CID 54070217

IUPACN-phenacylcyclohexanecarboxamide
SMILESO=C(CNC(=O)C1CCCCC1)c1ccccc1
InChIInChI=1S/C15H19NO2/c17-14(12-7-3-1-4-8-12)11-16-15(18)13-9-5-2-6-10-13/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,16,18)
InChIKeyMFXLIGPPABUKPT-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.57
Rot. Bonds4

About N-phenacylcyclohexanecarboxamide

N-phenacylcyclohexanecarboxamide (PubChem CID 54070217) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is N-phenacylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-phenacylcyclohexanecarboxamide
PubChem CID54070217
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC NameN-phenacylcyclohexanecarboxamide
SMILESO=C(CNC(=O)C1CCCCC1)c1ccccc1
InChIInChI=1S/C15H19NO2/c17-14(12-7-3-1-4-8-12)11-16-15(18)13-9-5-2-6-10-13/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,16,18)
InChIKeyMFXLIGPPABUKPT-UHFFFAOYSA-N
XLogP2.57
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(benzhydrylamino)-2-oxoethyl]cyclohexanecarboxamide
CID 18104757
N-[2-(4-fluorophenyl)-2-oxoethyl]cyclopropanecarboxamide
CID 82114443
N-[2-(4-fluoro-3-methylphenyl)-2-oxoethyl]cyclohexanecarboxamide
CID 94285899
N-benzylcyclopentanecarboxamide
CID 835634
2-methyl-N-phenacylcyclopropane-1-carboxamide
CID 64991605
N-[2-(4-fluoro-3-methylphenyl)-2-oxoethyl]cyclopentanecarboxamide
CID 82122155
N-(2-bromo-2-phenylethyl)cyclohexanecarboxamide
CID 113274135
N-phenacylcyclohexanesulfonamide
CID 64993938
N-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopropanecarboxamide
CID 94261270
N-[2-(2-benzylidenehydrazinyl)-2-oxoethyl]cyclohexanecarboxamide
CID 4925063
3-[(cyclohexanecarbonylamino)methyl]benzoic acid
CID 60895668
N-benzylcyclobutanecarboxamide
CID 730128

Frequently Asked Questions

What is the IUPAC name of N-phenacylcyclohexanecarboxamide?
The IUPAC name of N-phenacylcyclohexanecarboxamide (CID 54070217) is N-phenacylcyclohexanecarboxamide.
What is the SMILES notation for N-phenacylcyclohexanecarboxamide?
The canonical SMILES for N-phenacylcyclohexanecarboxamide is O=C(CNC(=O)C1CCCCC1)c1ccccc1.
What is the InChIKey of N-phenacylcyclohexanecarboxamide?
The InChIKey is MFXLIGPPABUKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c17-14(12-7-3-1-4-8-12)11-16-15(18)13-9-5-2-6-10-13/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,16,18).
What are the key properties of N-phenacylcyclohexanecarboxamide?
N-phenacylcyclohexanecarboxamide has a molecular weight of 245.32 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenacylcyclohexanecarboxamide is sourced from PubChem (CID 54070217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).