N-(1-butyl-3-methyl-2-oxo-4-phenylazetidin-3-yl)-2-phenylacetamide

C22H26N2O2 — CID 595534

IUPACN-(1-butyl-3-methyl-2-oxo-4-phenylazetidin-3-yl)-2-phenylacetamide
SMILESCCCCN1C(=O)C(C)(NC(=O)Cc2ccccc2)C1c1ccccc1
InChIInChI=1S/C22H26N2O2/c1-3-4-15-24-20(18-13-9-6-10-14-18)22(2,21(24)26)23-19(25)16-17-11-7-5-8-12-17/h5-14,20H,3-4,15-16H2,1-2H3,(H,23,25)
InChIKeyLHUXKSRKPMXOBI-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.49
Rot. Bonds7

About N-(1-butyl-3-methyl-2-oxo-4-phenylazetidin-3-yl)-2-phenylacetamide

N-(1-butyl-3-methyl-2-oxo-4-phenylazetidin-3-yl)-2-phenylacetamide (PubChem CID 595534) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-(1-butyl-3-methyl-2-oxo-4-phenylazetidin-3-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(1-butyl-3-methyl-2-oxo-4-phenylazetidin-3-yl)-2-phenylacetamide
PubChem CID595534
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-(1-butyl-3-methyl-2-oxo-4-phenylazetidin-3-yl)-2-phenylacetamide
SMILESCCCCN1C(=O)C(C)(NC(=O)Cc2ccccc2)C1c1ccccc1
InChIInChI=1S/C22H26N2O2/c1-3-4-15-24-20(18-13-9-6-10-14-18)22(2,21(24)26)23-19(25)16-17-11-7-5-8-12-17/h5-14,20H,3-4,15-16H2,1-2H3,(H,23,25)
InChIKeyLHUXKSRKPMXOBI-UHFFFAOYSA-N
XLogP3.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,5R,6S)-6-(butylamino)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CID 88833052
(5S)-4-butyl-5-phenyl-1,2,4-triazolidin-3-one
CID 97301803
methyl (2R,3R)-1-benzyl-3-methyl-5-oxo-2-phenylpyrrolidine-3-carboxylate
CID 15314820
methyl (1S,4R,5R,6S,7S)-4-benzamido-4-methyl-3-oxo-5-phenyl-2-propyl-2-azabicyclo[4.1.0]heptane-7-carboxylate
CID 101340669
4-benzyl-1-butylazetidin-2-one
CID 86190057
methyl (3R,4S)-1-benzyl-2-oxo-4-phenylazetidine-3-carboxylate
CID 10469773
5-methyl-3-pentyl-2-phenylimidazolidin-4-one
CID 83250974
N-(benzylcarbamoyl)-2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 5090642
2-phenyl-N-[1-[(2-phenylacetyl)amino]pentyl]acetamide
CID 71451972
N-(2-phenylacetyl)octadecanamide
CID 175258087
(1S,4S)-5-benzyl-7-butyl-2,3-dithia-5,7-diazabicyclo[2.2.2]octane-6,8-dione
CID 101399126
3-acetyl-1-hexyl-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 2875928

Frequently Asked Questions

What is the IUPAC name of N-(1-butyl-3-methyl-2-oxo-4-phenylazetidin-3-yl)-2-phenylacetamide?
The IUPAC name of N-(1-butyl-3-methyl-2-oxo-4-phenylazetidin-3-yl)-2-phenylacetamide (CID 595534) is N-(1-butyl-3-methyl-2-oxo-4-phenylazetidin-3-yl)-2-phenylacetamide.
What is the SMILES notation for N-(1-butyl-3-methyl-2-oxo-4-phenylazetidin-3-yl)-2-phenylacetamide?
The canonical SMILES for N-(1-butyl-3-methyl-2-oxo-4-phenylazetidin-3-yl)-2-phenylacetamide is CCCCN1C(=O)C(C)(NC(=O)Cc2ccccc2)C1c1ccccc1.
What is the InChIKey of N-(1-butyl-3-methyl-2-oxo-4-phenylazetidin-3-yl)-2-phenylacetamide?
The InChIKey is LHUXKSRKPMXOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-3-4-15-24-20(18-13-9-6-10-14-18)22(2,21(24)26)23-19(25)16-17-11-7-5-8-12-17/h5-14,20H,3-4,15-16H2,1-2H3,(H,23,25).
What are the key properties of N-(1-butyl-3-methyl-2-oxo-4-phenylazetidin-3-yl)-2-phenylacetamide?
N-(1-butyl-3-methyl-2-oxo-4-phenylazetidin-3-yl)-2-phenylacetamide has a molecular weight of 350.46 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butyl-3-methyl-2-oxo-4-phenylazetidin-3-yl)-2-phenylacetamide is sourced from PubChem (CID 595534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).