3-amino-1-(3-methylphenyl)-4-(4-methylphenyl)azetidin-2-one

C17H18N2O — CID 102536923

IUPAC3-amino-1-(3-methylphenyl)-4-(4-methylphenyl)azetidin-2-one
SMILESCc1ccc(C2C(N)C(=O)N2c2cccc(C)c2)cc1
InChIInChI=1S/C17H18N2O/c1-11-6-8-13(9-7-11)16-15(18)17(20)19(16)14-5-3-4-12(2)10-14/h3-10,15-16H,18H2,1-2H3
InChIKeyVCHVVLXMMSMAQN-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.72
Rot. Bonds2

About 3-amino-1-(3-methylphenyl)-4-(4-methylphenyl)azetidin-2-one

3-amino-1-(3-methylphenyl)-4-(4-methylphenyl)azetidin-2-one (PubChem CID 102536923) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-amino-1-(3-methylphenyl)-4-(4-methylphenyl)azetidin-2-one.

Molecular Properties

Compound Name3-amino-1-(3-methylphenyl)-4-(4-methylphenyl)azetidin-2-one
PubChem CID102536923
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name3-amino-1-(3-methylphenyl)-4-(4-methylphenyl)azetidin-2-one
SMILESCc1ccc(C2C(N)C(=O)N2c2cccc(C)c2)cc1
InChIInChI=1S/C17H18N2O/c1-11-6-8-13(9-7-11)16-15(18)17(20)19(16)14-5-3-4-12(2)10-14/h3-10,15-16H,18H2,1-2H3
InChIKeyVCHVVLXMMSMAQN-UHFFFAOYSA-N
XLogP2.72
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-4-(4-chlorophenyl)-1-(3-methylphenyl)azetidin-2-one
CID 102536930
3-amino-1-(3-methylphenyl)-4-[4-(trifluoromethyl)phenyl]azetidin-2-one
CID 102536933
(3S,4S)-3-amino-1-(3-methylphenyl)-4-[4-(trifluoromethyl)phenyl]azetidin-2-one
CID 124503570
(3S,4R)-3-amino-4-(3-chlorophenyl)-1-(3-methylphenyl)azetidin-2-one
CID 124503553
3-amino-4-(3-chlorophenyl)-1-(3-methylphenyl)azetidin-2-one
CID 102536929
(3R,4S)-3-amino-4-(2-chlorophenyl)-1-(3-methylphenyl)azetidin-2-one
CID 124503552
(3R,4R)-3-amino-1-(4-bromophenyl)-4-(4-methylphenyl)azetidin-2-one
CID 124503407
3-amino-1-(1,3-benzodioxol-5-yl)-4-(4-methylphenyl)azetidin-2-one
CID 102536959
(3S,4S)-3-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methylphenyl)azetidin-2-one
CID 124503796
(3R,4S)-3-amino-1-(4-methylphenyl)-4-[4-(trifluoromethyl)phenyl]azetidin-2-one
CID 124503614
(3R,4S)-3-amino-4-(3-methoxyphenyl)-1-(4-methylphenyl)azetidin-2-one
CID 124503588
(3R,4R)-3-amino-4-(4-bromophenyl)-1-(3-fluorophenyl)azetidin-2-one
CID 124503749

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-methylphenyl)-4-(4-methylphenyl)azetidin-2-one?
The IUPAC name of 3-amino-1-(3-methylphenyl)-4-(4-methylphenyl)azetidin-2-one (CID 102536923) is 3-amino-1-(3-methylphenyl)-4-(4-methylphenyl)azetidin-2-one.
What is the SMILES notation for 3-amino-1-(3-methylphenyl)-4-(4-methylphenyl)azetidin-2-one?
The canonical SMILES for 3-amino-1-(3-methylphenyl)-4-(4-methylphenyl)azetidin-2-one is Cc1ccc(C2C(N)C(=O)N2c2cccc(C)c2)cc1.
What is the InChIKey of 3-amino-1-(3-methylphenyl)-4-(4-methylphenyl)azetidin-2-one?
The InChIKey is VCHVVLXMMSMAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-11-6-8-13(9-7-11)16-15(18)17(20)19(16)14-5-3-4-12(2)10-14/h3-10,15-16H,18H2,1-2H3.
What are the key properties of 3-amino-1-(3-methylphenyl)-4-(4-methylphenyl)azetidin-2-one?
3-amino-1-(3-methylphenyl)-4-(4-methylphenyl)azetidin-2-one has a molecular weight of 266.34 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-methylphenyl)-4-(4-methylphenyl)azetidin-2-one is sourced from PubChem (CID 102536923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).