2-[(2R,3R)-3-methyl-2-phenylazetidin-1-yl]-N-propylacetamide

C15H22N2O — CID 96569500

IUPAC2-[(2R,3R)-3-methyl-2-phenylazetidin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1C[C@@H](C)[C@@H]1c1ccccc1
InChIInChI=1S/C15H22N2O/c1-3-9-16-14(18)11-17-10-12(2)15(17)13-7-5-4-6-8-13/h4-8,12,15H,3,9-11H2,1-2H3,(H,16,18)/t12-,15-/m1/s1
InChIKeyKCYFXQCUXXEMER-IUODEOHRSA-N
MW246.35 g/mol
LogP2.21
Rot. Bonds5

About 2-[(2R,3R)-3-methyl-2-phenylazetidin-1-yl]-N-propylacetamide

2-[(2R,3R)-3-methyl-2-phenylazetidin-1-yl]-N-propylacetamide (PubChem CID 96569500) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-[(2R,3R)-3-methyl-2-phenylazetidin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[(2R,3R)-3-methyl-2-phenylazetidin-1-yl]-N-propylacetamide
PubChem CID96569500
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-[(2R,3R)-3-methyl-2-phenylazetidin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1C[C@@H](C)[C@@H]1c1ccccc1
InChIInChI=1S/C15H22N2O/c1-3-9-16-14(18)11-17-10-12(2)15(17)13-7-5-4-6-8-13/h4-8,12,15H,3,9-11H2,1-2H3,(H,16,18)/t12-,15-/m1/s1
InChIKeyKCYFXQCUXXEMER-IUODEOHRSA-N
XLogP2.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2S,3R)-3-methyl-2-phenylazetidin-1-yl]-N-propylacetamide
CID 124732916
N-(2-bromophenyl)-2-[(2S,3S)-3-methyl-2-phenylazetidin-1-yl]acetamide
CID 95785992
2-(4-phenylpiperidin-1-yl)-N-propylacetamide
CID 134001849
2-(2-phenylpyrrolidin-1-yl)-N-(propylcarbamoyl)acetamide
CID 18137773
N-pentyl-2-[(3S)-3-phenylpyrrolidin-1-yl]acetamide
CID 95317674
N-[[2,4-dimethyl-1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]methyl]benzamide
CID 140543807
2-(2,5-dimethylpyrrol-1-yl)-N-propylacetamide
CID 43567559
2-[(3-phenylcyclobutyl)amino]-N-propylacetamide
CID 43632338
2-[2-(3-fluorophenyl)piperazin-1-yl]-N-propylacetamide
CID 120756453
N'-benzyl-N-propylpropanediamide
CID 108940601
(2R,3S)-N-(cyclopropylmethyl)-3-methyl-2-phenylazetidine-1-carboxamide
CID 99774852
5-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-5-oxo-N-propylpentanamide
CID 120747868

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R)-3-methyl-2-phenylazetidin-1-yl]-N-propylacetamide?
The IUPAC name of 2-[(2R,3R)-3-methyl-2-phenylazetidin-1-yl]-N-propylacetamide (CID 96569500) is 2-[(2R,3R)-3-methyl-2-phenylazetidin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[(2R,3R)-3-methyl-2-phenylazetidin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[(2R,3R)-3-methyl-2-phenylazetidin-1-yl]-N-propylacetamide is CCCNC(=O)CN1C[C@@H](C)[C@@H]1c1ccccc1.
What is the InChIKey of 2-[(2R,3R)-3-methyl-2-phenylazetidin-1-yl]-N-propylacetamide?
The InChIKey is KCYFXQCUXXEMER-IUODEOHRSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-9-16-14(18)11-17-10-12(2)15(17)13-7-5-4-6-8-13/h4-8,12,15H,3,9-11H2,1-2H3,(H,16,18)/t12-,15-/m1/s1.
What are the key properties of 2-[(2R,3R)-3-methyl-2-phenylazetidin-1-yl]-N-propylacetamide?
2-[(2R,3R)-3-methyl-2-phenylazetidin-1-yl]-N-propylacetamide has a molecular weight of 246.35 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R)-3-methyl-2-phenylazetidin-1-yl]-N-propylacetamide is sourced from PubChem (CID 96569500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).