N-benzyl-N-[1-benzyl-2,3-bis(4-methylphenyl)-4-oxoazetidin-3-yl]benzamide

C38H34N2O2 — CID 101407341

IUPACN-benzyl-N-[1-benzyl-2,3-bis(4-methylphenyl)-4-oxoazetidin-3-yl]benzamide
SMILESCc1ccc(C2N(Cc3ccccc3)C(=O)C2(c2ccc(C)cc2)N(Cc2ccccc2)C(=O)c2ccccc2)cc1
InChIInChI=1S/C38H34N2O2/c1-28-18-22-32(23-19-28)35-38(34-24-20-29(2)21-25-34,37(42)39(35)26-30-12-6-3-7-13-30)40(27-31-14-8-4-9-15-31)36(41)33-16-10-5-11-17-33/h3-25,35H,26-27H2,1-2H3
InChIKeyOUNHAFIIJKEFKB-UHFFFAOYSA-N
MW550.70 g/mol
LogP7.63
Rot. Bonds8

About N-benzyl-N-[1-benzyl-2,3-bis(4-methylphenyl)-4-oxoazetidin-3-yl]benzamide

N-benzyl-N-[1-benzyl-2,3-bis(4-methylphenyl)-4-oxoazetidin-3-yl]benzamide (PubChem CID 101407341) has the molecular formula C38H34N2O2 and a molecular weight of 550.70 g/mol. Its IUPAC name is N-benzyl-N-[1-benzyl-2,3-bis(4-methylphenyl)-4-oxoazetidin-3-yl]benzamide.

Molecular Properties

Compound NameN-benzyl-N-[1-benzyl-2,3-bis(4-methylphenyl)-4-oxoazetidin-3-yl]benzamide
PubChem CID101407341
Molecular FormulaC38H34N2O2
Molecular Weight550.70 g/mol
Exact Mass550.26
IUPAC NameN-benzyl-N-[1-benzyl-2,3-bis(4-methylphenyl)-4-oxoazetidin-3-yl]benzamide
SMILESCc1ccc(C2N(Cc3ccccc3)C(=O)C2(c2ccc(C)cc2)N(Cc2ccccc2)C(=O)c2ccccc2)cc1
InChIInChI=1S/C38H34N2O2/c1-28-18-22-32(23-19-28)35-38(34-24-20-29(2)21-25-34,37(42)39(35)26-30-12-6-3-7-13-30)40(27-31-14-8-4-9-15-31)36(41)33-16-10-5-11-17-33/h3-25,35H,26-27H2,1-2H3
InChIKeyOUNHAFIIJKEFKB-UHFFFAOYSA-N
XLogP7.63
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.70
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-hydroxy-4-(4-methylphenyl)azetidin-2-one
CID 91824522
3-acetyl-1-benzyl-4-hydroxy-2-(4-methylphenyl)-2H-pyrrol-5-one
CID 22725660
N-benzyl-N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide
CID 166198785
1-acetyl-N-benzyl-4-[(4-fluorophenyl)methyl-(4-methylbenzoyl)amino]piperidine-4-carboxamide
CID 22580555
(3R,4S)-1-benzyl-3-fluoro-3-(3-methylphenyl)-4-phenylazetidin-2-one
CID 102203464
N-methyl-N-[(3R,4S)-1-methyl-2-oxo-3,4-diphenylazetidin-3-yl]benzamide
CID 95989767
ethyl (3S,4S)-1-benzyl-2-oxo-4-phenyl-3-phenylsulfanylazetidine-3-carboxylate
CID 11538952
1-benzyl-1-ethyl-3-[(4-methylphenyl)methyl]urea
CID 108899084
1-acetyl-N-benzyl-4-[(4-methoxybenzoyl)-[(4-methylphenyl)methyl]amino]piperidine-4-carboxamide
CID 46356908
N-benzyl-N-methyl-2-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide
CID 53063770
2-benzyl-N-(4-methylphenyl)-3-oxo-1H-isoindole-1-carboxamide
CID 44552144
(3R,4S)-1-benzyl-3-fluoro-4-phenyl-3-[4-(trifluoromethyl)phenyl]azetidin-2-one
CID 71568858

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[1-benzyl-2,3-bis(4-methylphenyl)-4-oxoazetidin-3-yl]benzamide?
The IUPAC name of N-benzyl-N-[1-benzyl-2,3-bis(4-methylphenyl)-4-oxoazetidin-3-yl]benzamide (CID 101407341) is N-benzyl-N-[1-benzyl-2,3-bis(4-methylphenyl)-4-oxoazetidin-3-yl]benzamide.
What is the SMILES notation for N-benzyl-N-[1-benzyl-2,3-bis(4-methylphenyl)-4-oxoazetidin-3-yl]benzamide?
The canonical SMILES for N-benzyl-N-[1-benzyl-2,3-bis(4-methylphenyl)-4-oxoazetidin-3-yl]benzamide is Cc1ccc(C2N(Cc3ccccc3)C(=O)C2(c2ccc(C)cc2)N(Cc2ccccc2)C(=O)c2ccccc2)cc1.
What is the InChIKey of N-benzyl-N-[1-benzyl-2,3-bis(4-methylphenyl)-4-oxoazetidin-3-yl]benzamide?
The InChIKey is OUNHAFIIJKEFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34N2O2/c1-28-18-22-32(23-19-28)35-38(34-24-20-29(2)21-25-34,37(42)39(35)26-30-12-6-3-7-13-30)40(27-31-14-8-4-9-15-31)36(41)33-16-10-5-11-17-33/h3-25,35H,26-27H2,1-2H3.
What are the key properties of N-benzyl-N-[1-benzyl-2,3-bis(4-methylphenyl)-4-oxoazetidin-3-yl]benzamide?
N-benzyl-N-[1-benzyl-2,3-bis(4-methylphenyl)-4-oxoazetidin-3-yl]benzamide has a molecular weight of 550.70 g/mol, XLogP of 7.63, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[1-benzyl-2,3-bis(4-methylphenyl)-4-oxoazetidin-3-yl]benzamide is sourced from PubChem (CID 101407341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).