ethane;1-phenyl-5,5-di(propan-2-yl)imidazolidin-4-one

C17H28N2O — CID 159568880

IUPACethane;1-phenyl-5,5-di(propan-2-yl)imidazolidin-4-one
SMILESCC.CC(C)C1(C(C)C)C(=O)NCN1c1ccccc1
InChIInChI=1S/C15H22N2O.C2H6/c1-11(2)15(12(3)4)14(18)16-10-17(15)13-8-6-5-7-9-13;1-2/h5-9,11-12H,10H2,1-4H3,(H,16,18);1-2H3
InChIKeyMHOFFBOQPXUQSQ-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.66
Rot. Bonds3

About ethane;1-phenyl-5,5-di(propan-2-yl)imidazolidin-4-one

ethane;1-phenyl-5,5-di(propan-2-yl)imidazolidin-4-one (PubChem CID 159568880) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is ethane;1-phenyl-5,5-di(propan-2-yl)imidazolidin-4-one.

Molecular Properties

Compound Nameethane;1-phenyl-5,5-di(propan-2-yl)imidazolidin-4-one
PubChem CID159568880
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Nameethane;1-phenyl-5,5-di(propan-2-yl)imidazolidin-4-one
SMILESCC.CC(C)C1(C(C)C)C(=O)NCN1c1ccccc1
InChIInChI=1S/C15H22N2O.C2H6/c1-11(2)15(12(3)4)14(18)16-10-17(15)13-8-6-5-7-9-13;1-2/h5-9,11-12H,10H2,1-4H3,(H,16,18);1-2H3
InChIKeyMHOFFBOQPXUQSQ-UHFFFAOYSA-N
XLogP3.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 23377559
8-(2,2-diphenylacetyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 141234209
1-phenyl-8-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-1,3,8-triazaspiro[4.5]decan-4-one
CID 10137134
8-cyclohexyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 11781971
8-cyclododecyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 10000890
8-(5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 18782339
8-(3-chloropropyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 21453222
(Z)-4-oxo-4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)but-2-enoic acid
CID 45109158
8-[(1-aminocyclopentyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 53470301
8-(4-ethylcyclohexyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride
CID 19347392
8-(3-methyl-2,3-dihydro-1H-inden-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride
CID 18782409
8-(1λ3-iodacyclohexa-1,3,5-trien-4-ylmethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 154012135

Frequently Asked Questions

What is the IUPAC name of ethane;1-phenyl-5,5-di(propan-2-yl)imidazolidin-4-one?
The IUPAC name of ethane;1-phenyl-5,5-di(propan-2-yl)imidazolidin-4-one (CID 159568880) is ethane;1-phenyl-5,5-di(propan-2-yl)imidazolidin-4-one.
What is the SMILES notation for ethane;1-phenyl-5,5-di(propan-2-yl)imidazolidin-4-one?
The canonical SMILES for ethane;1-phenyl-5,5-di(propan-2-yl)imidazolidin-4-one is CC.CC(C)C1(C(C)C)C(=O)NCN1c1ccccc1.
What is the InChIKey of ethane;1-phenyl-5,5-di(propan-2-yl)imidazolidin-4-one?
The InChIKey is MHOFFBOQPXUQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O.C2H6/c1-11(2)15(12(3)4)14(18)16-10-17(15)13-8-6-5-7-9-13;1-2/h5-9,11-12H,10H2,1-4H3,(H,16,18);1-2H3.
What are the key properties of ethane;1-phenyl-5,5-di(propan-2-yl)imidazolidin-4-one?
ethane;1-phenyl-5,5-di(propan-2-yl)imidazolidin-4-one has a molecular weight of 276.42 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-phenyl-5,5-di(propan-2-yl)imidazolidin-4-one is sourced from PubChem (CID 159568880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).