(3S,4S)-3-amino-1-(3,4-dimethylphenyl)-4-(4-ethylphenyl)azetidin-2-one

C19H22N2O — CID 124504000

IUPAC(3S,4S)-3-amino-1-(3,4-dimethylphenyl)-4-(4-ethylphenyl)azetidin-2-one
SMILESCCc1ccc([C@H]2[C@H](N)C(=O)N2c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C19H22N2O/c1-4-14-6-8-15(9-7-14)18-17(20)19(22)21(18)16-10-5-12(2)13(3)11-16/h5-11,17-18H,4,20H2,1-3H3/t17-,18-/m0/s1
InChIKeyLBXPFPBJTQKSRS-ROUUACIJSA-N
MW294.40 g/mol
LogP3.28
Rot. Bonds3

About (3S,4S)-3-amino-1-(3,4-dimethylphenyl)-4-(4-ethylphenyl)azetidin-2-one

(3S,4S)-3-amino-1-(3,4-dimethylphenyl)-4-(4-ethylphenyl)azetidin-2-one (PubChem CID 124504000) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is (3S,4S)-3-amino-1-(3,4-dimethylphenyl)-4-(4-ethylphenyl)azetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-3-amino-1-(3,4-dimethylphenyl)-4-(4-ethylphenyl)azetidin-2-one
PubChem CID124504000
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name(3S,4S)-3-amino-1-(3,4-dimethylphenyl)-4-(4-ethylphenyl)azetidin-2-one
SMILESCCc1ccc([C@H]2[C@H](N)C(=O)N2c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C19H22N2O/c1-4-14-6-8-15(9-7-14)18-17(20)19(22)21(18)16-10-5-12(2)13(3)11-16/h5-11,17-18H,4,20H2,1-3H3/t17-,18-/m0/s1
InChIKeyLBXPFPBJTQKSRS-ROUUACIJSA-N
XLogP3.28
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4R)-3-amino-4-(4-bromophenyl)-1-(3,4-dimethylphenyl)azetidin-2-one
CID 124503973
(3S,4R)-3-amino-1-(3,4-dichlorophenyl)-4-(4-ethylphenyl)azetidin-2-one
CID 124503943
(3S,4R)-3-amino-4-(4-ethylphenyl)-1-phenylazetidin-2-one
CID 124503509
3-amino-4-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)azetidin-2-one
CID 102537030
(3R,4R)-3-amino-1-(4-ethylphenyl)-4-(3-methoxyphenyl)azetidin-2-one
CID 124504145
3-amino-1-(3-methylphenyl)-4-(4-methylphenyl)azetidin-2-one
CID 102536923
(3S,4S)-3-amino-1-(4-ethoxyphenyl)-4-(4-methylphenyl)azetidin-2-one
CID 124504187
(3R,4R)-3-amino-1-(4-bromophenyl)-4-(4-methylphenyl)azetidin-2-one
CID 124503407
(3S,4R)-3-amino-1,4-bis(4-chlorophenyl)azetidin-2-one
CID 124504103
(3S,4S)-3-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methylphenyl)azetidin-2-one
CID 124503796
3-amino-1-(1,3-benzodioxol-5-yl)-4-(4-methylphenyl)azetidin-2-one
CID 102536959
3-amino-4-(4-chlorophenyl)-1-(3-methylphenyl)azetidin-2-one
CID 102536930

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-amino-1-(3,4-dimethylphenyl)-4-(4-ethylphenyl)azetidin-2-one?
The IUPAC name of (3S,4S)-3-amino-1-(3,4-dimethylphenyl)-4-(4-ethylphenyl)azetidin-2-one (CID 124504000) is (3S,4S)-3-amino-1-(3,4-dimethylphenyl)-4-(4-ethylphenyl)azetidin-2-one.
What is the SMILES notation for (3S,4S)-3-amino-1-(3,4-dimethylphenyl)-4-(4-ethylphenyl)azetidin-2-one?
The canonical SMILES for (3S,4S)-3-amino-1-(3,4-dimethylphenyl)-4-(4-ethylphenyl)azetidin-2-one is CCc1ccc([C@H]2[C@H](N)C(=O)N2c2ccc(C)c(C)c2)cc1.
What is the InChIKey of (3S,4S)-3-amino-1-(3,4-dimethylphenyl)-4-(4-ethylphenyl)azetidin-2-one?
The InChIKey is LBXPFPBJTQKSRS-ROUUACIJSA-N. The full InChI is InChI=1S/C19H22N2O/c1-4-14-6-8-15(9-7-14)18-17(20)19(22)21(18)16-10-5-12(2)13(3)11-16/h5-11,17-18H,4,20H2,1-3H3/t17-,18-/m0/s1.
What are the key properties of (3S,4S)-3-amino-1-(3,4-dimethylphenyl)-4-(4-ethylphenyl)azetidin-2-one?
(3S,4S)-3-amino-1-(3,4-dimethylphenyl)-4-(4-ethylphenyl)azetidin-2-one has a molecular weight of 294.40 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-amino-1-(3,4-dimethylphenyl)-4-(4-ethylphenyl)azetidin-2-one is sourced from PubChem (CID 124504000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).