(3S,4S)-3-amino-1-(4-ethoxyphenyl)-4-(4-methylphenyl)azetidin-2-one

C18H20N2O2 — CID 124504187

IUPAC(3S,4S)-3-amino-1-(4-ethoxyphenyl)-4-(4-methylphenyl)azetidin-2-one
SMILESCCOc1ccc(N2C(=O)[C@@H](N)[C@@H]2c2ccc(C)cc2)cc1
InChIInChI=1S/C18H20N2O2/c1-3-22-15-10-8-14(9-11-15)20-17(16(19)18(20)21)13-6-4-12(2)5-7-13/h4-11,16-17H,3,19H2,1-2H3/t16-,17-/m0/s1
InChIKeyAXRVTZQAAJBOCS-IRXDYDNUSA-N
MW296.37 g/mol
LogP2.81
Rot. Bonds4

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

(3S,4S)-3-amino-1-(4-ethoxyphenyl)-4-(4-methylphenyl)azetidin-2-one (PubChem CID 124504187) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is (3S,4S)-3-amino-1-(4-ethoxyphenyl)-4-(4-methylphenyl)azetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-3-amino-1-(4-ethoxyphenyl)-4-(4-methylphenyl)azetidin-2-one
PubChem CID124504187
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name(3S,4S)-3-amino-1-(4-ethoxyphenyl)-4-(4-methylphenyl)azetidin-2-one
SMILESCCOc1ccc(N2C(=O)[C@@H](N)[C@@H]2c2ccc(C)cc2)cc1
InChIInChI=1S/C18H20N2O2/c1-3-22-15-10-8-14(9-11-15)20-17(16(19)18(20)21)13-6-4-12(2)5-7-13/h4-11,16-17H,3,19H2,1-2H3/t16-,17-/m0/s1
InChIKeyAXRVTZQAAJBOCS-IRXDYDNUSA-N
XLogP2.81
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-3-amino-4-(4-chlorophenyl)-1-(4-ethoxyphenyl)azetidin-2-one
CID 124504213
(3R,4R)-3-amino-1-(4-bromophenyl)-4-(4-methylphenyl)azetidin-2-one
CID 124503407
(3S,4R)-3-amino-4-(1,3-benzodioxol-5-yl)-1-(4-ethoxyphenyl)azetidin-2-one
CID 124504201
3-amino-1-(4-ethoxyphenyl)-4-methylazetidin-2-one
CID 112757927
(3R,4S)-3-amino-1-(4-ethoxyphenyl)-4-(2-fluorophenyl)azetidin-2-one
CID 124504219
(3R,4S)-3-amino-1-(4-methylphenyl)-4-[4-(trifluoromethyl)phenyl]azetidin-2-one
CID 124503614
(3R,4R)-3-amino-4-(2,4-dichlorophenyl)-1-(4-ethoxyphenyl)azetidin-2-one
CID 124504230
(3R,4S)-3-amino-4-(3-methoxyphenyl)-1-(4-methylphenyl)azetidin-2-one
CID 124503588
(2S,6R,7S)-4-(4-ethoxyphenyl)-7-(4-methylphenyl)-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione
CID 6355445
(2S,6R,7R)-4-(4-ethoxyphenyl)-7-(4-methylphenyl)-1,4,8-triazatricyclo[6.3.0.02,6]undecane-3,5-dione
CID 11901120
3-amino-1-(3-methylphenyl)-4-(4-methylphenyl)azetidin-2-one
CID 102536923
3-amino-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 12545415

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-amino-1-(4-ethoxyphenyl)-4-(4-methylphenyl)azetidin-2-one?
The IUPAC name of (3S,4S)-3-amino-1-(4-ethoxyphenyl)-4-(4-methylphenyl)azetidin-2-one (CID 124504187) is (3S,4S)-3-amino-1-(4-ethoxyphenyl)-4-(4-methylphenyl)azetidin-2-one.
What is the SMILES notation for (3S,4S)-3-amino-1-(4-ethoxyphenyl)-4-(4-methylphenyl)azetidin-2-one?
The canonical SMILES for (3S,4S)-3-amino-1-(4-ethoxyphenyl)-4-(4-methylphenyl)azetidin-2-one is CCOc1ccc(N2C(=O)[C@@H](N)[C@@H]2c2ccc(C)cc2)cc1.
What is the InChIKey of (3S,4S)-3-amino-1-(4-ethoxyphenyl)-4-(4-methylphenyl)azetidin-2-one?
The InChIKey is AXRVTZQAAJBOCS-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-3-22-15-10-8-14(9-11-15)20-17(16(19)18(20)21)13-6-4-12(2)5-7-13/h4-11,16-17H,3,19H2,1-2H3/t16-,17-/m0/s1.
What are the key properties of (3S,4S)-3-amino-1-(4-ethoxyphenyl)-4-(4-methylphenyl)azetidin-2-one?
(3S,4S)-3-amino-1-(4-ethoxyphenyl)-4-(4-methylphenyl)azetidin-2-one has a molecular weight of 296.37 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-amino-1-(4-ethoxyphenyl)-4-(4-methylphenyl)azetidin-2-one is sourced from PubChem (CID 124504187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).