2-(1-methyl-3,5-dioxopyrazolidin-4-yl)-N-(3-phenylpropyl)acetamide

C15H19N3O3 — CID 110703494

IUPAC2-(1-methyl-3,5-dioxopyrazolidin-4-yl)-N-(3-phenylpropyl)acetamide
SMILESCN1NC(=O)C(CC(=O)NCCCc2ccccc2)C1=O
InChIInChI=1S/C15H19N3O3/c1-18-15(21)12(14(20)17-18)10-13(19)16-9-5-8-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3,(H,16,19)(H,17,20)
InChIKeyANGGEZGHRJZYAS-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.24
Rot. Bonds6

About 2-(1-methyl-3,5-dioxopyrazolidin-4-yl)-N-(3-phenylpropyl)acetamide

2-(1-methyl-3,5-dioxopyrazolidin-4-yl)-N-(3-phenylpropyl)acetamide (PubChem CID 110703494) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-(1-methyl-3,5-dioxopyrazolidin-4-yl)-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(1-methyl-3,5-dioxopyrazolidin-4-yl)-N-(3-phenylpropyl)acetamide
PubChem CID110703494
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name2-(1-methyl-3,5-dioxopyrazolidin-4-yl)-N-(3-phenylpropyl)acetamide
SMILESCN1NC(=O)C(CC(=O)NCCCc2ccccc2)C1=O
InChIInChI=1S/C15H19N3O3/c1-18-15(21)12(14(20)17-18)10-13(19)16-9-5-8-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3,(H,16,19)(H,17,20)
InChIKeyANGGEZGHRJZYAS-UHFFFAOYSA-N
XLogP0.24
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_B(12)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-dimethyl-2,4,6-trioxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)-N-(3-phenylpropyl)acetamide
CID 42649517
2-(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)-N-(3-phenylpropyl)acetamide
CID 74925241
N-(3-phenylpropyl)-2-piperidin-4-ylacetamide
CID 60905850
2-cyclohexyl-N-(3-phenylpropyl)acetamide
CID 59168672
2-[(2S,5R)-5-(acetamidomethyl)-1-methylpyrrolidin-2-yl]-N-(3-phenylpropyl)acetamide
CID 166615612
2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(2-hydroxyethyl)acetamide
CID 71826617
2-(2-hydroxyethylamino)-N-(3-phenylpropyl)acetamide
CID 163571162
ethane;N-(3-phenylpropyl)-3-(3-phenylpropylamino)propanamide
CID 142168077
2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(3-phenylpropyl)acetamide
CID 45174392
3-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(3-phenylpropyl)propanamide
CID 9449890
3-(tert-butylamino)-N-(3-phenylpropyl)propanamide
CID 60913635
2-[[(3S)-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl]sulfanyl]-N-(3-phenylpropyl)acetamide
CID 42234728

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-3,5-dioxopyrazolidin-4-yl)-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-(1-methyl-3,5-dioxopyrazolidin-4-yl)-N-(3-phenylpropyl)acetamide (CID 110703494) is 2-(1-methyl-3,5-dioxopyrazolidin-4-yl)-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-(1-methyl-3,5-dioxopyrazolidin-4-yl)-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-(1-methyl-3,5-dioxopyrazolidin-4-yl)-N-(3-phenylpropyl)acetamide is CN1NC(=O)C(CC(=O)NCCCc2ccccc2)C1=O.
What is the InChIKey of 2-(1-methyl-3,5-dioxopyrazolidin-4-yl)-N-(3-phenylpropyl)acetamide?
The InChIKey is ANGGEZGHRJZYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-18-15(21)12(14(20)17-18)10-13(19)16-9-5-8-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3,(H,16,19)(H,17,20).
What are the key properties of 2-(1-methyl-3,5-dioxopyrazolidin-4-yl)-N-(3-phenylpropyl)acetamide?
2-(1-methyl-3,5-dioxopyrazolidin-4-yl)-N-(3-phenylpropyl)acetamide has a molecular weight of 289.33 g/mol, XLogP of 0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-3,5-dioxopyrazolidin-4-yl)-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 110703494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).