N-benzhydryl-3-methyl-2-(2-oxoazetidin-1-yl)butanamide

C21H24N2O2 — CID 3489886

IUPACN-benzhydryl-3-methyl-2-(2-oxoazetidin-1-yl)butanamide
SMILESCC(C)C(C(=O)NC(c1ccccc1)c1ccccc1)N1CCC1=O
InChIInChI=1S/C21H24N2O2/c1-15(2)20(23-14-13-18(23)24)21(25)22-19(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,15,19-20H,13-14H2,1-2H3,(H,22,25)
InChIKeyBKHJLGKGZRUVCH-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.15
Rot. Bonds6

About N-benzhydryl-3-methyl-2-(2-oxoazetidin-1-yl)butanamide

N-benzhydryl-3-methyl-2-(2-oxoazetidin-1-yl)butanamide (PubChem CID 3489886) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-benzhydryl-3-methyl-2-(2-oxoazetidin-1-yl)butanamide.

Molecular Properties

Compound NameN-benzhydryl-3-methyl-2-(2-oxoazetidin-1-yl)butanamide
PubChem CID3489886
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-benzhydryl-3-methyl-2-(2-oxoazetidin-1-yl)butanamide
SMILESCC(C)C(C(=O)NC(c1ccccc1)c1ccccc1)N1CCC1=O
InChIInChI=1S/C21H24N2O2/c1-15(2)20(23-14-13-18(23)24)21(25)22-19(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,15,19-20H,13-14H2,1-2H3,(H,22,25)
InChIKeyBKHJLGKGZRUVCH-UHFFFAOYSA-N
XLogP3.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2-(2-oxopyrrolidin-1-yl)-N-[1-(4-phenoxyphenyl)ethyl]butanamide
CID 60622068
3-methyl-2-(2-oxopyrrolidin-1-yl)-N-[1-(2-phenoxyphenyl)ethyl]butanamide
CID 60621260
3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)butanamide
CID 51100996
(2S)-3-methyl-2-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-thiophen-2-ylethyl]butanamide
CID 94817439
(2R)-3-methyl-2-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-thiophen-2-ylethyl]butanamide
CID 94817440
2-(2-oxoazetidin-1-yl)-2-phenylacetic acid
CID 156875681
(2S)-N-benzhydryl-2-chloropropanamide
CID 2113355
N-benzhydryl-2-sulfanylpropanamide
CID 107022267
(2S)-N-benzhydryl-2-(4-methylpiperazin-1-yl)propanamide
CID 1439178
N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 60620056
N-[[2-(hydroxymethyl)phenyl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 110911035
N-benzhydryl-2-(4-hydroxypiperidin-1-yl)propanamide
CID 51167538

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-3-methyl-2-(2-oxoazetidin-1-yl)butanamide?
The IUPAC name of N-benzhydryl-3-methyl-2-(2-oxoazetidin-1-yl)butanamide (CID 3489886) is N-benzhydryl-3-methyl-2-(2-oxoazetidin-1-yl)butanamide.
What is the SMILES notation for N-benzhydryl-3-methyl-2-(2-oxoazetidin-1-yl)butanamide?
The canonical SMILES for N-benzhydryl-3-methyl-2-(2-oxoazetidin-1-yl)butanamide is CC(C)C(C(=O)NC(c1ccccc1)c1ccccc1)N1CCC1=O.
What is the InChIKey of N-benzhydryl-3-methyl-2-(2-oxoazetidin-1-yl)butanamide?
The InChIKey is BKHJLGKGZRUVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-15(2)20(23-14-13-18(23)24)21(25)22-19(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,15,19-20H,13-14H2,1-2H3,(H,22,25).
What are the key properties of N-benzhydryl-3-methyl-2-(2-oxoazetidin-1-yl)butanamide?
N-benzhydryl-3-methyl-2-(2-oxoazetidin-1-yl)butanamide has a molecular weight of 336.44 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-3-methyl-2-(2-oxoazetidin-1-yl)butanamide is sourced from PubChem (CID 3489886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).