N-(3,5-dimethylpyrazolidin-4-yl)-2-[(4-fluorophenyl)methyl-pentylamino]acetamide

C19H31FN4O — CID 52991511

IUPACN-(3,5-dimethylpyrazolidin-4-yl)-2-[(4-fluorophenyl)methyl-pentylamino]acetamide
SMILESCCCCCN(CC(=O)NC1C(C)NNC1C)Cc1ccc(F)cc1
InChIInChI=1S/C19H31FN4O/c1-4-5-6-11-24(12-16-7-9-17(20)10-8-16)13-18(25)21-19-14(2)22-23-15(19)3/h7-10,14-15,19,22-23H,4-6,11-13H2,1-3H3,(H,21,25)
InChIKeyJIENHODUMWEFPJ-UHFFFAOYSA-N
MW350.48 g/mol
LogP2.19
Rot. Bonds9

About N-(3,5-dimethylpyrazolidin-4-yl)-2-[(4-fluorophenyl)methyl-pentylamino]acetamide

N-(3,5-dimethylpyrazolidin-4-yl)-2-[(4-fluorophenyl)methyl-pentylamino]acetamide (PubChem CID 52991511) has the molecular formula C19H31FN4O and a molecular weight of 350.48 g/mol. Its IUPAC name is N-(3,5-dimethylpyrazolidin-4-yl)-2-[(4-fluorophenyl)methyl-pentylamino]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethylpyrazolidin-4-yl)-2-[(4-fluorophenyl)methyl-pentylamino]acetamide
PubChem CID52991511
Molecular FormulaC19H31FN4O
Molecular Weight350.48 g/mol
Exact Mass350.25
IUPAC NameN-(3,5-dimethylpyrazolidin-4-yl)-2-[(4-fluorophenyl)methyl-pentylamino]acetamide
SMILESCCCCCN(CC(=O)NC1C(C)NNC1C)Cc1ccc(F)cc1
InChIInChI=1S/C19H31FN4O/c1-4-5-6-11-24(12-16-7-9-17(20)10-8-16)13-18(25)21-19-14(2)22-23-15(19)3/h7-10,14-15,19,22-23H,4-6,11-13H2,1-3H3,(H,21,25)
InChIKeyJIENHODUMWEFPJ-UHFFFAOYSA-N
XLogP2.19
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[butyl-[(4-fluorophenyl)methyl]amino]propanoic acid
CID 82328171
2-[(4-fluorophenyl)methyl-pentylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 86911666
N-butyl-N-[(4-fluorophenyl)methyl]butan-1-amine
CID 6422133
2-[(4-fluorophenyl)methyl-pentylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 112801753
N-(2-chloroethyl)-N-[(4-fluorophenyl)methyl]butan-1-amine
CID 63389177
2-[ethyl-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylacetamide
CID 78791314
2-amino-N-[(4-fluorophenyl)methyl]-N-pentylacetamide;hydrochloride
CID 119270984
N-[(4-fluorophenyl)methyl]-N-pentylformamide
CID 177471699
N-[2-[(4-fluorophenyl)methyl-pentylamino]-2-oxoethyl]cyclopentanecarboxamide
CID 86963688
4-N-[(4-fluorophenyl)methyl]-1-N-methyl-4-N-pentylbenzene-1,4-disulfonamide
CID 25472305
2-[butyl-[(4-fluorophenyl)methyl]amino]-1-[(2S)-2-(4-fluorophenyl)-1,3-thiazolidin-3-yl]ethanone
CID 7431752
6-[(4-fluorophenyl)methyl-methylamino]hexan-2-one
CID 62029803

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylpyrazolidin-4-yl)-2-[(4-fluorophenyl)methyl-pentylamino]acetamide?
The IUPAC name of N-(3,5-dimethylpyrazolidin-4-yl)-2-[(4-fluorophenyl)methyl-pentylamino]acetamide (CID 52991511) is N-(3,5-dimethylpyrazolidin-4-yl)-2-[(4-fluorophenyl)methyl-pentylamino]acetamide.
What is the SMILES notation for N-(3,5-dimethylpyrazolidin-4-yl)-2-[(4-fluorophenyl)methyl-pentylamino]acetamide?
The canonical SMILES for N-(3,5-dimethylpyrazolidin-4-yl)-2-[(4-fluorophenyl)methyl-pentylamino]acetamide is CCCCCN(CC(=O)NC1C(C)NNC1C)Cc1ccc(F)cc1.
What is the InChIKey of N-(3,5-dimethylpyrazolidin-4-yl)-2-[(4-fluorophenyl)methyl-pentylamino]acetamide?
The InChIKey is JIENHODUMWEFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31FN4O/c1-4-5-6-11-24(12-16-7-9-17(20)10-8-16)13-18(25)21-19-14(2)22-23-15(19)3/h7-10,14-15,19,22-23H,4-6,11-13H2,1-3H3,(H,21,25).
What are the key properties of N-(3,5-dimethylpyrazolidin-4-yl)-2-[(4-fluorophenyl)methyl-pentylamino]acetamide?
N-(3,5-dimethylpyrazolidin-4-yl)-2-[(4-fluorophenyl)methyl-pentylamino]acetamide has a molecular weight of 350.48 g/mol, XLogP of 2.19, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylpyrazolidin-4-yl)-2-[(4-fluorophenyl)methyl-pentylamino]acetamide is sourced from PubChem (CID 52991511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).