N-methyl-N-[(3R,4S)-1-methyl-2-oxo-3,4-diphenylazetidin-3-yl]benzamide

C24H22N2O2 — CID 95989767

IUPACN-methyl-N-[(3R,4S)-1-methyl-2-oxo-3,4-diphenylazetidin-3-yl]benzamide
SMILESCN1C(=O)[C@](c2ccccc2)(N(C)C(=O)c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C24H22N2O2/c1-25-21(18-12-6-3-7-13-18)24(23(25)28,20-16-10-5-11-17-20)26(2)22(27)19-14-8-4-9-15-19/h3-17,21H,1-2H3/t21-,24+/m0/s1
InChIKeyWEAXEKGWIYAFKD-XUZZJYLKSA-N
MW370.45 g/mol
LogP3.87
Rot. Bonds4

About N-methyl-N-[(3R,4S)-1-methyl-2-oxo-3,4-diphenylazetidin-3-yl]benzamide

N-methyl-N-[(3R,4S)-1-methyl-2-oxo-3,4-diphenylazetidin-3-yl]benzamide (PubChem CID 95989767) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-methyl-N-[(3R,4S)-1-methyl-2-oxo-3,4-diphenylazetidin-3-yl]benzamide.

Molecular Properties

Compound NameN-methyl-N-[(3R,4S)-1-methyl-2-oxo-3,4-diphenylazetidin-3-yl]benzamide
PubChem CID95989767
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC NameN-methyl-N-[(3R,4S)-1-methyl-2-oxo-3,4-diphenylazetidin-3-yl]benzamide
SMILESCN1C(=O)[C@](c2ccccc2)(N(C)C(=O)c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C24H22N2O2/c1-25-21(18-12-6-3-7-13-18)24(23(25)28,20-16-10-5-11-17-20)26(2)22(27)19-14-8-4-9-15-19/h3-17,21H,1-2H3/t21-,24+/m0/s1
InChIKeyWEAXEKGWIYAFKD-XUZZJYLKSA-N
XLogP3.87
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1,2,2-trimethyl-3-phenylaziridine
CID 99770138
N-methyl-N-(1-methylcyclopropyl)benzamide
CID 66675854
N-benzyl-N-[1-benzyl-2,3-bis(4-methylphenyl)-4-oxoazetidin-3-yl]benzamide
CID 101407341
dimethyl 3-(2,2-diphenylethenyl)-2,3-diphenyl-1-propan-2-yl-2H-pyrrole-4,5-dicarboxylate
CID 56651154
(3S,4R)-3-hydroxy-1,4-dimethyl-3-phenylazetidin-2-one
CID 102008054
[(3S,4S)-1-methyl-2-oxo-4-phenyl-3-phenylsulfanylazetidin-3-yl] acetate
CID 58843843
N,N-dimethylmethanamine;1-phenylpropan-1-one
CID 174454319
benzoyl(methyl)carbamic acid;hydrochloride
CID 70634624
(1S)-N,N,2-trimethyl-3-oxo-1-phenyl-2,7-diazaspiro[3.5]nonane-7-sulfonamide
CID 97401581
N-[(3R,4R)-2-oxo-1,4-diphenyl-3-propan-2-ylazetidin-3-yl]benzamide
CID 11003531
(2R,3S)-N,N-dimethyl-2,3-diphenylaziridine-1-carboxamide
CID 10015778
N-[(1R,2R,4R,7S)-7-hydroxy-2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-N-methylbenzamide
CID 98199719

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3R,4S)-1-methyl-2-oxo-3,4-diphenylazetidin-3-yl]benzamide?
The IUPAC name of N-methyl-N-[(3R,4S)-1-methyl-2-oxo-3,4-diphenylazetidin-3-yl]benzamide (CID 95989767) is N-methyl-N-[(3R,4S)-1-methyl-2-oxo-3,4-diphenylazetidin-3-yl]benzamide.
What is the SMILES notation for N-methyl-N-[(3R,4S)-1-methyl-2-oxo-3,4-diphenylazetidin-3-yl]benzamide?
The canonical SMILES for N-methyl-N-[(3R,4S)-1-methyl-2-oxo-3,4-diphenylazetidin-3-yl]benzamide is CN1C(=O)[C@](c2ccccc2)(N(C)C(=O)c2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of N-methyl-N-[(3R,4S)-1-methyl-2-oxo-3,4-diphenylazetidin-3-yl]benzamide?
The InChIKey is WEAXEKGWIYAFKD-XUZZJYLKSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-25-21(18-12-6-3-7-13-18)24(23(25)28,20-16-10-5-11-17-20)26(2)22(27)19-14-8-4-9-15-19/h3-17,21H,1-2H3/t21-,24+/m0/s1.
What are the key properties of N-methyl-N-[(3R,4S)-1-methyl-2-oxo-3,4-diphenylazetidin-3-yl]benzamide?
N-methyl-N-[(3R,4S)-1-methyl-2-oxo-3,4-diphenylazetidin-3-yl]benzamide has a molecular weight of 370.45 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3R,4S)-1-methyl-2-oxo-3,4-diphenylazetidin-3-yl]benzamide is sourced from PubChem (CID 95989767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).