N-[(5-tert-butylpyrazolidin-3-yl)methyl]-N-methyl-2-(3-phenylpyrrolidin-1-yl)acetamide

C21H34N4O — CID 133264603

IUPACN-[(5-tert-butylpyrazolidin-3-yl)methyl]-N-methyl-2-(3-phenylpyrrolidin-1-yl)acetamide
SMILESCN(CC1CC(C(C)(C)C)NN1)C(=O)CN1CCC(c2ccccc2)C1
InChIInChI=1S/C21H34N4O/c1-21(2,3)19-12-18(22-23-19)14-24(4)20(26)15-25-11-10-17(13-25)16-8-6-5-7-9-16/h5-9,17-19,22-23H,10-15H2,1-4H3
InChIKeyPTFFNBPIHBNVJQ-UHFFFAOYSA-N
MW358.53 g/mol
LogP2.22
Rot. Bonds5

About N-[(5-tert-butylpyrazolidin-3-yl)methyl]-N-methyl-2-(3-phenylpyrrolidin-1-yl)acetamide

N-[(5-tert-butylpyrazolidin-3-yl)methyl]-N-methyl-2-(3-phenylpyrrolidin-1-yl)acetamide (PubChem CID 133264603) has the molecular formula C21H34N4O and a molecular weight of 358.53 g/mol. Its IUPAC name is N-[(5-tert-butylpyrazolidin-3-yl)methyl]-N-methyl-2-(3-phenylpyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(5-tert-butylpyrazolidin-3-yl)methyl]-N-methyl-2-(3-phenylpyrrolidin-1-yl)acetamide
PubChem CID133264603
Molecular FormulaC21H34N4O
Molecular Weight358.53 g/mol
Exact Mass358.27
IUPAC NameN-[(5-tert-butylpyrazolidin-3-yl)methyl]-N-methyl-2-(3-phenylpyrrolidin-1-yl)acetamide
SMILESCN(CC1CC(C(C)(C)C)NN1)C(=O)CN1CCC(c2ccccc2)C1
InChIInChI=1S/C21H34N4O/c1-21(2,3)19-12-18(22-23-19)14-24(4)20(26)15-25-11-10-17(13-25)16-8-6-5-7-9-16/h5-9,17-19,22-23H,10-15H2,1-4H3
InChIKeyPTFFNBPIHBNVJQ-UHFFFAOYSA-N
XLogP2.22
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-ylmethyl)-N-methyl-2-(4-phenylpiperidin-1-yl)acetamide
CID 134080848
N-cyclopropyl-N-ethyl-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95338399
N-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide
CID 133266471
N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide
CID 133117616
N-methyl-2-(3-phenylpyrrolidin-1-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide
CID 91786408
2-(2-ethylimidazol-1-yl)-N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide
CID 133265861
2-amino-2-methyl-4-(3-phenylpyrrolidin-1-yl)butanoic acid
CID 62131421
2-amino-2-methyl-5-(3-phenylpyrrolidin-1-yl)pentanamide
CID 62131244
2-methyl-2-(methylamino)-5-(3-phenylpyrrolidin-1-yl)pentanamide
CID 62131245
2-methyl-2-(3-phenylpyrrolidin-1-yl)propanoic acid
CID 114997894
3-[(3S)-3-phenylpyrrolidin-1-yl]propanoic acid
CID 94362410
N-[(2R)-3-methylbutan-2-yl]-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95280817

Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butylpyrazolidin-3-yl)methyl]-N-methyl-2-(3-phenylpyrrolidin-1-yl)acetamide?
The IUPAC name of N-[(5-tert-butylpyrazolidin-3-yl)methyl]-N-methyl-2-(3-phenylpyrrolidin-1-yl)acetamide (CID 133264603) is N-[(5-tert-butylpyrazolidin-3-yl)methyl]-N-methyl-2-(3-phenylpyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[(5-tert-butylpyrazolidin-3-yl)methyl]-N-methyl-2-(3-phenylpyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[(5-tert-butylpyrazolidin-3-yl)methyl]-N-methyl-2-(3-phenylpyrrolidin-1-yl)acetamide is CN(CC1CC(C(C)(C)C)NN1)C(=O)CN1CCC(c2ccccc2)C1.
What is the InChIKey of N-[(5-tert-butylpyrazolidin-3-yl)methyl]-N-methyl-2-(3-phenylpyrrolidin-1-yl)acetamide?
The InChIKey is PTFFNBPIHBNVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O/c1-21(2,3)19-12-18(22-23-19)14-24(4)20(26)15-25-11-10-17(13-25)16-8-6-5-7-9-16/h5-9,17-19,22-23H,10-15H2,1-4H3.
What are the key properties of N-[(5-tert-butylpyrazolidin-3-yl)methyl]-N-methyl-2-(3-phenylpyrrolidin-1-yl)acetamide?
N-[(5-tert-butylpyrazolidin-3-yl)methyl]-N-methyl-2-(3-phenylpyrrolidin-1-yl)acetamide has a molecular weight of 358.53 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butylpyrazolidin-3-yl)methyl]-N-methyl-2-(3-phenylpyrrolidin-1-yl)acetamide is sourced from PubChem (CID 133264603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).