1-cyclohexyl-2-(dibenzylamino)ethanone

C22H27NO — CID 130167125

IUPAC1-cyclohexyl-2-(dibenzylamino)ethanone
SMILESO=C(CN(Cc1ccccc1)Cc1ccccc1)C1CCCCC1
InChIInChI=1S/C22H27NO/c24-22(21-14-8-3-9-15-21)18-23(16-19-10-4-1-5-11-19)17-20-12-6-2-7-13-20/h1-2,4-7,10-13,21H,3,8-9,14-18H2
InChIKeyXIMULQNQPFOKFI-UHFFFAOYSA-N
MW321.46 g/mol
LogP4.84
Rot. Bonds7

About 1-cyclohexyl-2-(dibenzylamino)ethanone

1-cyclohexyl-2-(dibenzylamino)ethanone (PubChem CID 130167125) has the molecular formula C22H27NO and a molecular weight of 321.46 g/mol. Its IUPAC name is 1-cyclohexyl-2-(dibenzylamino)ethanone.

Molecular Properties

Compound Name1-cyclohexyl-2-(dibenzylamino)ethanone
PubChem CID130167125
Molecular FormulaC22H27NO
Molecular Weight321.46 g/mol
Exact Mass321.21
IUPAC Name1-cyclohexyl-2-(dibenzylamino)ethanone
SMILESO=C(CN(Cc1ccccc1)Cc1ccccc1)C1CCCCC1
InChIInChI=1S/C22H27NO/c24-22(21-14-8-3-9-15-21)18-23(16-19-10-4-1-5-11-19)17-20-12-6-2-7-13-20/h1-2,4-7,10-13,21H,3,8-9,14-18H2
InChIKeyXIMULQNQPFOKFI-UHFFFAOYSA-N
XLogP4.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dibenzylcyclohexanecarboxamide
CID 1371794
1-cyclohexyl-2-(N-methylanilino)ethanone
CID 12697074
2-[benzyl(cyclobutylmethyl)amino]acetic acid
CID 119134931
N-benzylcyclopentanecarbohydrazide
CID 141018237
1-cyclohexyl-4-phenylbutan-1-one
CID 11481636
2-benzylsulfonyl-1-cyclohexylethanone
CID 104756083
N-(2-aminoethyl)-N-benzylcycloheptanecarboxamide
CID 62585571
1-cyclopentyl-2-[ethyl(pyridin-2-ylmethyl)amino]ethanone
CID 113448877
benzyl(cyclohexylmethyl)carbamic acid
CID 57063774
N-(2-aminophenyl)-N-benzylcyclopentanecarboxamide
CID 141090307
N-cyclopropyl-2-(dibenzylamino)-N-ethylacetamide
CID 52675045
N-benzylcyclopentanecarboxamide
CID 835634

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(dibenzylamino)ethanone?
The IUPAC name of 1-cyclohexyl-2-(dibenzylamino)ethanone (CID 130167125) is 1-cyclohexyl-2-(dibenzylamino)ethanone.
What is the SMILES notation for 1-cyclohexyl-2-(dibenzylamino)ethanone?
The canonical SMILES for 1-cyclohexyl-2-(dibenzylamino)ethanone is O=C(CN(Cc1ccccc1)Cc1ccccc1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(dibenzylamino)ethanone?
The InChIKey is XIMULQNQPFOKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO/c24-22(21-14-8-3-9-15-21)18-23(16-19-10-4-1-5-11-19)17-20-12-6-2-7-13-20/h1-2,4-7,10-13,21H,3,8-9,14-18H2.
What are the key properties of 1-cyclohexyl-2-(dibenzylamino)ethanone?
1-cyclohexyl-2-(dibenzylamino)ethanone has a molecular weight of 321.46 g/mol, XLogP of 4.84, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(dibenzylamino)ethanone is sourced from PubChem (CID 130167125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).