N-[2-(1,2-dimethyl-5-phenylpyrazolidin-3-yl)phenyl]-N-methylacetamide

C20H25N3O — CID 70622745

IUPACN-[2-(1,2-dimethyl-5-phenylpyrazolidin-3-yl)phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccccc1C1CC(c2ccccc2)N(C)N1C
InChIInChI=1S/C20H25N3O/c1-15(24)21(2)18-13-9-8-12-17(18)20-14-19(22(3)23(20)4)16-10-6-5-7-11-16/h5-13,19-20H,14H2,1-4H3
InChIKeyMYKNOXQNTSNZDA-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.63
Rot. Bonds3

About N-[2-(1,2-dimethyl-5-phenylpyrazolidin-3-yl)phenyl]-N-methylacetamide

N-[2-(1,2-dimethyl-5-phenylpyrazolidin-3-yl)phenyl]-N-methylacetamide (PubChem CID 70622745) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is N-[2-(1,2-dimethyl-5-phenylpyrazolidin-3-yl)phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(1,2-dimethyl-5-phenylpyrazolidin-3-yl)phenyl]-N-methylacetamide
PubChem CID70622745
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC NameN-[2-(1,2-dimethyl-5-phenylpyrazolidin-3-yl)phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccccc1C1CC(c2ccccc2)N(C)N1C
InChIInChI=1S/C20H25N3O/c1-15(24)21(2)18-13-9-8-12-17(18)20-14-19(22(3)23(20)4)16-10-6-5-7-11-16/h5-13,19-20H,14H2,1-4H3
InChIKeyMYKNOXQNTSNZDA-UHFFFAOYSA-N
XLogP3.63
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,6-dihydro-2H-thiopyran-2-yl)phenyl]-N-methylacetamide
CID 10538464
1,2-dimethyl-3-(3-methylphenyl)-5-phenylpyrazolidine;hydroiodide
CID 173456606
N-[2-[[2-[acetyl(methyl)amino]phenyl]diselanyl]phenyl]-N-methylacetamide
CID 6451931
2-[2-(dimethylamino)phenyl]pyrrolidine-1-carboxylic acid
CID 175376413
3-(cyclohexen-1-yl)-1,2-dimethyl-5-phenylpyrazolidine;hydroiodide
CID 173456626
(2R,3S,4S,6S)-1,3-dimethyl-2,6-diphenylpiperidin-4-ol
CID 6541757
1,3-dimethyl-2,6-diphenylpiperidin-4-ol
CID 2729803
N-acetyl-2-(3,5-dimethylpiperidin-1-yl)-N-phenylacetamide
CID 150565764
1-(3,5-diphenylpyrazolidin-1-yl)ethanone
CID 3126002
4-(2-phenylaziridin-1-yl)butan-2-one
CID 561043
N-[(2S,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylacetamide
CID 687227
N-[(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl]-N-phenylacetamide
CID 687228

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2-dimethyl-5-phenylpyrazolidin-3-yl)phenyl]-N-methylacetamide?
The IUPAC name of N-[2-(1,2-dimethyl-5-phenylpyrazolidin-3-yl)phenyl]-N-methylacetamide (CID 70622745) is N-[2-(1,2-dimethyl-5-phenylpyrazolidin-3-yl)phenyl]-N-methylacetamide.
What is the SMILES notation for N-[2-(1,2-dimethyl-5-phenylpyrazolidin-3-yl)phenyl]-N-methylacetamide?
The canonical SMILES for N-[2-(1,2-dimethyl-5-phenylpyrazolidin-3-yl)phenyl]-N-methylacetamide is CC(=O)N(C)c1ccccc1C1CC(c2ccccc2)N(C)N1C.
What is the InChIKey of N-[2-(1,2-dimethyl-5-phenylpyrazolidin-3-yl)phenyl]-N-methylacetamide?
The InChIKey is MYKNOXQNTSNZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-15(24)21(2)18-13-9-8-12-17(18)20-14-19(22(3)23(20)4)16-10-6-5-7-11-16/h5-13,19-20H,14H2,1-4H3.
What are the key properties of N-[2-(1,2-dimethyl-5-phenylpyrazolidin-3-yl)phenyl]-N-methylacetamide?
N-[2-(1,2-dimethyl-5-phenylpyrazolidin-3-yl)phenyl]-N-methylacetamide has a molecular weight of 323.44 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2-dimethyl-5-phenylpyrazolidin-3-yl)phenyl]-N-methylacetamide is sourced from PubChem (CID 70622745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).