azetidin-2-one;(2-cyclohexylphenyl)methyl butanoate;ethane

C22H35NO3 — CID 144709697

IUPACazetidin-2-one;(2-cyclohexylphenyl)methyl butanoate;ethane
SMILESCC.CCCC(=O)OCc1ccccc1C1CCCCC1.O=C1CCN1
InChIInChI=1S/C17H24O2.C3H5NO.C2H6/c1-2-8-17(18)19-13-15-11-6-7-12-16(15)14-9-4-3-5-10-14;5-3-1-2-4-3;1-2/h6-7,11-12,14H,2-5,8-10,13H2,1H3;1-2H2,(H,4,5);1-2H3
InChIKeyUXRLLFOKLVOHJV-UHFFFAOYSA-N
MW361.53 g/mol
LogP5.11
Rot. Bonds5

About azetidin-2-one;(2-cyclohexylphenyl)methyl butanoate;ethane

azetidin-2-one;(2-cyclohexylphenyl)methyl butanoate;ethane (PubChem CID 144709697) has the molecular formula C22H35NO3 and a molecular weight of 361.53 g/mol. Its IUPAC name is azetidin-2-one;(2-cyclohexylphenyl)methyl butanoate;ethane.

Molecular Properties

Compound Nameazetidin-2-one;(2-cyclohexylphenyl)methyl butanoate;ethane
PubChem CID144709697
Molecular FormulaC22H35NO3
Molecular Weight361.53 g/mol
Exact Mass361.26
IUPAC Nameazetidin-2-one;(2-cyclohexylphenyl)methyl butanoate;ethane
SMILESCC.CCCC(=O)OCc1ccccc1C1CCCCC1.O=C1CCN1
InChIInChI=1S/C17H24O2.C3H5NO.C2H6/c1-2-8-17(18)19-13-15-11-6-7-12-16(15)14-9-4-3-5-10-14;5-3-1-2-4-3;1-2/h6-7,11-12,14H,2-5,8-10,13H2,1H3;1-2H2,(H,4,5);1-2H3
InChIKeyUXRLLFOKLVOHJV-UHFFFAOYSA-N
XLogP5.11
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.53
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of azetidin-2-one;(2-cyclohexylphenyl)methyl butanoate;ethane?
The IUPAC name of azetidin-2-one;(2-cyclohexylphenyl)methyl butanoate;ethane (CID 144709697) is azetidin-2-one;(2-cyclohexylphenyl)methyl butanoate;ethane.
What is the SMILES notation for azetidin-2-one;(2-cyclohexylphenyl)methyl butanoate;ethane?
The canonical SMILES for azetidin-2-one;(2-cyclohexylphenyl)methyl butanoate;ethane is CC.CCCC(=O)OCc1ccccc1C1CCCCC1.O=C1CCN1.
What is the InChIKey of azetidin-2-one;(2-cyclohexylphenyl)methyl butanoate;ethane?
The InChIKey is UXRLLFOKLVOHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2.C3H5NO.C2H6/c1-2-8-17(18)19-13-15-11-6-7-12-16(15)14-9-4-3-5-10-14;5-3-1-2-4-3;1-2/h6-7,11-12,14H,2-5,8-10,13H2,1H3;1-2H2,(H,4,5);1-2H3.
What are the key properties of azetidin-2-one;(2-cyclohexylphenyl)methyl butanoate;ethane?
azetidin-2-one;(2-cyclohexylphenyl)methyl butanoate;ethane has a molecular weight of 361.53 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-2-one;(2-cyclohexylphenyl)methyl butanoate;ethane is sourced from PubChem (CID 144709697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).