bicyclo[2.2.0]hexa-1,3,5-triene;tert-butyl N-[1-(2-acetylphenyl)-3-hydroxy-3-methylcyclobutyl]carbamate

C24H29NO4 — CID 66718926

IUPACbicyclo[2.2.0]hexa-1,3,5-triene;tert-butyl N-[1-(2-acetylphenyl)-3-hydroxy-3-methylcyclobutyl]carbamate
SMILESCC(=O)c1ccccc1C1(NC(=O)OC(C)(C)C)CC(C)(O)C1.c1cc2ccc1-2
InChIInChI=1S/C18H25NO4.C6H4/c1-12(20)13-8-6-7-9-14(13)18(10-17(5,22)11-18)19-15(21)23-16(2,3)4;1-2-6-4-3-5(1)6/h6-9,22H,10-11H2,1-5H3,(H,19,21);1-4H
InChIKeyPLCHXVZDHLLGBF-UHFFFAOYSA-N
MW395.50 g/mol
LogP4.82
Rot. Bonds3

About bicyclo[2.2.0]hexa-1,3,5-triene;tert-butyl N-[1-(2-acetylphenyl)-3-hydroxy-3-methylcyclobutyl]carbamate

bicyclo[2.2.0]hexa-1,3,5-triene;tert-butyl N-[1-(2-acetylphenyl)-3-hydroxy-3-methylcyclobutyl]carbamate (PubChem CID 66718926) has the molecular formula C24H29NO4 and a molecular weight of 395.50 g/mol. Its IUPAC name is bicyclo[2.2.0]hexa-1,3,5-triene;tert-butyl N-[1-(2-acetylphenyl)-3-hydroxy-3-methylcyclobutyl]carbamate.

Molecular Properties

Compound Namebicyclo[2.2.0]hexa-1,3,5-triene;tert-butyl N-[1-(2-acetylphenyl)-3-hydroxy-3-methylcyclobutyl]carbamate
PubChem CID66718926
Molecular FormulaC24H29NO4
Molecular Weight395.50 g/mol
Exact Mass395.21
IUPAC Namebicyclo[2.2.0]hexa-1,3,5-triene;tert-butyl N-[1-(2-acetylphenyl)-3-hydroxy-3-methylcyclobutyl]carbamate
SMILESCC(=O)c1ccccc1C1(NC(=O)OC(C)(C)C)CC(C)(O)C1.c1cc2ccc1-2
InChIInChI=1S/C18H25NO4.C6H4/c1-12(20)13-8-6-7-9-14(13)18(10-17(5,22)11-18)19-15(21)23-16(2,3)4;1-2-6-4-3-5(1)6/h6-9,22H,10-11H2,1-5H3,(H,19,21);1-4H
InChIKeyPLCHXVZDHLLGBF-UHFFFAOYSA-N
XLogP4.82
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze bicyclo[2.2.0]hexa-1,3,5-triene;tert-butyl N-[1-(2-acetylphenyl)-3-hydroxy-3-methylcyclobutyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[1-[4-(2,6-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)phenyl]-3-hydroxy-3-methylcyclobutyl]carbamate
CID 66823461
tert-butyl N-(3,3-difluoro-1-phenylcyclobutyl)carbamate
CID 171921911
tert-butyl N-[1-(5-phenyl-2-pyridinyl)cyclopropyl]carbamate
CID 141105169
tert-butyl N-[2-(5-amino-2-ethylphenyl)-1,3-dihydroinden-2-yl]carbamate
CID 18331441
tert-butyl N-[3-hydroxy-3-methyl-1-[4-(5-methyl-7-phenylpyrazolo[1,5-a]pteridin-8-yl)phenyl]cyclobutyl]carbamate
CID 58034599
1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydroindene-1-carboxylic acid
CID 2733195
tert-butyl N-[1-(2-aminobenzoyl)-4,4-dimethylcyclohexyl]carbamate
CID 10641332
tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-phenylphenyl)azetidine-1-carboxylate
CID 166608186
tert-butyl N-[1-[methylsulfonyl-(4-phenylphenyl)carbamoyl]cyclopropyl]carbamate
CID 91150633
tert-butyl N-(1-carbamoyl-2,3-dihydroinden-1-yl)carbamate
CID 91387270
tert-butyl N-(2-cyano-1,3-dihydroinden-2-yl)carbamate
CID 164650703
tert-butyl N-[2-(4-methylsulfanylpyrimidin-2-yl)-1,3-dihydroinden-2-yl]carbamate
CID 177175531

Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.0]hexa-1,3,5-triene;tert-butyl N-[1-(2-acetylphenyl)-3-hydroxy-3-methylcyclobutyl]carbamate?
The IUPAC name of bicyclo[2.2.0]hexa-1,3,5-triene;tert-butyl N-[1-(2-acetylphenyl)-3-hydroxy-3-methylcyclobutyl]carbamate (CID 66718926) is bicyclo[2.2.0]hexa-1,3,5-triene;tert-butyl N-[1-(2-acetylphenyl)-3-hydroxy-3-methylcyclobutyl]carbamate.
What is the SMILES notation for bicyclo[2.2.0]hexa-1,3,5-triene;tert-butyl N-[1-(2-acetylphenyl)-3-hydroxy-3-methylcyclobutyl]carbamate?
The canonical SMILES for bicyclo[2.2.0]hexa-1,3,5-triene;tert-butyl N-[1-(2-acetylphenyl)-3-hydroxy-3-methylcyclobutyl]carbamate is CC(=O)c1ccccc1C1(NC(=O)OC(C)(C)C)CC(C)(O)C1.c1cc2ccc1-2.
What is the InChIKey of bicyclo[2.2.0]hexa-1,3,5-triene;tert-butyl N-[1-(2-acetylphenyl)-3-hydroxy-3-methylcyclobutyl]carbamate?
The InChIKey is PLCHXVZDHLLGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4.C6H4/c1-12(20)13-8-6-7-9-14(13)18(10-17(5,22)11-18)19-15(21)23-16(2,3)4;1-2-6-4-3-5(1)6/h6-9,22H,10-11H2,1-5H3,(H,19,21);1-4H.
What are the key properties of bicyclo[2.2.0]hexa-1,3,5-triene;tert-butyl N-[1-(2-acetylphenyl)-3-hydroxy-3-methylcyclobutyl]carbamate?
bicyclo[2.2.0]hexa-1,3,5-triene;tert-butyl N-[1-(2-acetylphenyl)-3-hydroxy-3-methylcyclobutyl]carbamate has a molecular weight of 395.50 g/mol, XLogP of 4.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.0]hexa-1,3,5-triene;tert-butyl N-[1-(2-acetylphenyl)-3-hydroxy-3-methylcyclobutyl]carbamate is sourced from PubChem (CID 66718926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).