(3R,4S)-3-amino-1-benzhydryl-4-(4-methoxyphenyl)azetidin-2-one

C23H22N2O2 — CID 54028985

IUPAC(3R,4S)-3-amino-1-benzhydryl-4-(4-methoxyphenyl)azetidin-2-one
SMILESCOc1ccc([C@H]2[C@@H](N)C(=O)N2C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H22N2O2/c1-27-19-14-12-18(13-15-19)22-20(24)23(26)25(22)21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-15,20-22H,24H2,1H3/t20-,22+/m1/s1
InChIKeyLEFRFYVXYRIVJX-IRLDBZIGSA-N
MW358.44 g/mol
LogP3.70
Rot. Bonds5

About (3R,4S)-3-amino-1-benzhydryl-4-(4-methoxyphenyl)azetidin-2-one

(3R,4S)-3-amino-1-benzhydryl-4-(4-methoxyphenyl)azetidin-2-one (PubChem CID 54028985) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is (3R,4S)-3-amino-1-benzhydryl-4-(4-methoxyphenyl)azetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-3-amino-1-benzhydryl-4-(4-methoxyphenyl)azetidin-2-one
PubChem CID54028985
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name(3R,4S)-3-amino-1-benzhydryl-4-(4-methoxyphenyl)azetidin-2-one
SMILESCOc1ccc([C@H]2[C@@H](N)C(=O)N2C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H22N2O2/c1-27-19-14-12-18(13-15-19)22-20(24)23(26)25(22)21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-15,20-22H,24H2,1H3/t20-,22+/m1/s1
InChIKeyLEFRFYVXYRIVJX-IRLDBZIGSA-N
XLogP3.70
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-amino-1-benzhydryl-4-(4-methoxyphenyl)azetidin-2-one?
The IUPAC name of (3R,4S)-3-amino-1-benzhydryl-4-(4-methoxyphenyl)azetidin-2-one (CID 54028985) is (3R,4S)-3-amino-1-benzhydryl-4-(4-methoxyphenyl)azetidin-2-one.
What is the SMILES notation for (3R,4S)-3-amino-1-benzhydryl-4-(4-methoxyphenyl)azetidin-2-one?
The canonical SMILES for (3R,4S)-3-amino-1-benzhydryl-4-(4-methoxyphenyl)azetidin-2-one is COc1ccc([C@H]2[C@@H](N)C(=O)N2C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (3R,4S)-3-amino-1-benzhydryl-4-(4-methoxyphenyl)azetidin-2-one?
The InChIKey is LEFRFYVXYRIVJX-IRLDBZIGSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-27-19-14-12-18(13-15-19)22-20(24)23(26)25(22)21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-15,20-22H,24H2,1H3/t20-,22+/m1/s1.
What are the key properties of (3R,4S)-3-amino-1-benzhydryl-4-(4-methoxyphenyl)azetidin-2-one?
(3R,4S)-3-amino-1-benzhydryl-4-(4-methoxyphenyl)azetidin-2-one has a molecular weight of 358.44 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-amino-1-benzhydryl-4-(4-methoxyphenyl)azetidin-2-one is sourced from PubChem (CID 54028985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).