(3S,4R)-3-amino-4-(4-ethylphenyl)-1-phenylazetidin-2-one

C17H18N2O — CID 124503509

IUPAC(3S,4R)-3-amino-4-(4-ethylphenyl)-1-phenylazetidin-2-one
SMILESCCc1ccc([C@@H]2[C@H](N)C(=O)N2c2ccccc2)cc1
InChIInChI=1S/C17H18N2O/c1-2-12-8-10-13(11-9-12)16-15(18)17(20)19(16)14-6-4-3-5-7-14/h3-11,15-16H,2,18H2,1H3/t15-,16+/m0/s1
InChIKeyNPKDWUYFGDFHNP-JKSUJKDBSA-N
MW266.34 g/mol
LogP2.66
Rot. Bonds3

About (3S,4R)-3-amino-4-(4-ethylphenyl)-1-phenylazetidin-2-one

(3S,4R)-3-amino-4-(4-ethylphenyl)-1-phenylazetidin-2-one (PubChem CID 124503509) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is (3S,4R)-3-amino-4-(4-ethylphenyl)-1-phenylazetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-3-amino-4-(4-ethylphenyl)-1-phenylazetidin-2-one
PubChem CID124503509
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name(3S,4R)-3-amino-4-(4-ethylphenyl)-1-phenylazetidin-2-one
SMILESCCc1ccc([C@@H]2[C@H](N)C(=O)N2c2ccccc2)cc1
InChIInChI=1S/C17H18N2O/c1-2-12-8-10-13(11-9-12)16-15(18)17(20)19(16)14-6-4-3-5-7-14/h3-11,15-16H,2,18H2,1H3/t15-,16+/m0/s1
InChIKeyNPKDWUYFGDFHNP-JKSUJKDBSA-N
XLogP2.66
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4S)-3-amino-1-(3,4-dimethylphenyl)-4-(4-ethylphenyl)azetidin-2-one
CID 124504000
(3S,4R)-3-amino-1-(3,4-dichlorophenyl)-4-(4-ethylphenyl)azetidin-2-one
CID 124503943
3-amino-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 12545415
(3R,4R)-3-amino-1-(4-ethylphenyl)-4-(3-methoxyphenyl)azetidin-2-one
CID 124504145
(3R,4S)-3-amino-1-(4-fluorophenyl)-4-phenylazetidin-2-one
CID 124503328
(3S,4R)-3-amino-1,4-bis(4-chlorophenyl)azetidin-2-one
CID 124504103
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-4-(4-chlorophenyl)-1-(4-ethoxyphenyl)azetidin-2-one
CID 124504213
3-amino-4-(4-chlorophenyl)-1-(3-methylphenyl)azetidin-2-one
CID 102536930
(3R,4R)-3-amino-4-(4-bromophenyl)-1-(3-fluorophenyl)azetidin-2-one
CID 124503749

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-amino-4-(4-ethylphenyl)-1-phenylazetidin-2-one?
The IUPAC name of (3S,4R)-3-amino-4-(4-ethylphenyl)-1-phenylazetidin-2-one (CID 124503509) is (3S,4R)-3-amino-4-(4-ethylphenyl)-1-phenylazetidin-2-one.
What is the SMILES notation for (3S,4R)-3-amino-4-(4-ethylphenyl)-1-phenylazetidin-2-one?
The canonical SMILES for (3S,4R)-3-amino-4-(4-ethylphenyl)-1-phenylazetidin-2-one is CCc1ccc([C@@H]2[C@H](N)C(=O)N2c2ccccc2)cc1.
What is the InChIKey of (3S,4R)-3-amino-4-(4-ethylphenyl)-1-phenylazetidin-2-one?
The InChIKey is NPKDWUYFGDFHNP-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H18N2O/c1-2-12-8-10-13(11-9-12)16-15(18)17(20)19(16)14-6-4-3-5-7-14/h3-11,15-16H,2,18H2,1H3/t15-,16+/m0/s1.
What are the key properties of (3S,4R)-3-amino-4-(4-ethylphenyl)-1-phenylazetidin-2-one?
(3S,4R)-3-amino-4-(4-ethylphenyl)-1-phenylazetidin-2-one has a molecular weight of 266.34 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-amino-4-(4-ethylphenyl)-1-phenylazetidin-2-one is sourced from PubChem (CID 124503509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).