2-(3,5-dioxopyrazolidin-4-yl)-N-(4-propan-2-yloxyphenyl)acetamide

C14H17N3O4 — CID 110703347

IUPAC2-(3,5-dioxopyrazolidin-4-yl)-N-(4-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1ccc(NC(=O)CC2C(=O)NNC2=O)cc1
InChIInChI=1S/C14H17N3O4/c1-8(2)21-10-5-3-9(4-6-10)15-12(18)7-11-13(19)16-17-14(11)20/h3-6,8,11H,7H2,1-2H3,(H,15,18)(H,16,19)(H,17,20)
InChIKeyNZWUSBHIXZEXSD-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.58
Rot. Bonds5

About 2-(3,5-dioxopyrazolidin-4-yl)-N-(4-propan-2-yloxyphenyl)acetamide

2-(3,5-dioxopyrazolidin-4-yl)-N-(4-propan-2-yloxyphenyl)acetamide (PubChem CID 110703347) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-(3,5-dioxopyrazolidin-4-yl)-N-(4-propan-2-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dioxopyrazolidin-4-yl)-N-(4-propan-2-yloxyphenyl)acetamide
PubChem CID110703347
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name2-(3,5-dioxopyrazolidin-4-yl)-N-(4-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1ccc(NC(=O)CC2C(=O)NNC2=O)cc1
InChIInChI=1S/C14H17N3O4/c1-8(2)21-10-5-3-9(4-6-10)15-12(18)7-11-13(19)16-17-14(11)20/h3-6,8,11H,7H2,1-2H3,(H,15,18)(H,16,19)(H,17,20)
InChIKeyNZWUSBHIXZEXSD-UHFFFAOYSA-N
XLogP0.58
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(4-propan-2-yloxyphenyl)butanediamide
CID 17340345
3-oxo-N-(4-propan-2-yloxyphenyl)butanamide
CID 28969935
N-cyclopentyl-N'-(4-propan-2-yloxyphenyl)propanediamide
CID 108942248
2-morpholin-2-yl-N-(4-propan-2-yloxyphenyl)acetamide
CID 66432987
2-(4-acetamidoanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54809144
N'-(4-propan-2-yloxyphenyl)butanediamide
CID 94268902
N-(4-propan-2-yloxyphenyl)-2-(prop-2-ynylamino)acetamide
CID 79286722
N-cyclohexyl-N'-(4-propan-2-yloxyphenyl)propanediamide
CID 108942623
N-(4-propan-2-yloxyphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936153
N-[4-[[2-(4-propan-2-yloxyanilino)acetyl]amino]phenyl]propanamide
CID 54822614
4-chloro-N-(4-propan-2-yloxyphenyl)butanamide
CID 17161001
N-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]propanamide
CID 47415261

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dioxopyrazolidin-4-yl)-N-(4-propan-2-yloxyphenyl)acetamide?
The IUPAC name of 2-(3,5-dioxopyrazolidin-4-yl)-N-(4-propan-2-yloxyphenyl)acetamide (CID 110703347) is 2-(3,5-dioxopyrazolidin-4-yl)-N-(4-propan-2-yloxyphenyl)acetamide.
What is the SMILES notation for 2-(3,5-dioxopyrazolidin-4-yl)-N-(4-propan-2-yloxyphenyl)acetamide?
The canonical SMILES for 2-(3,5-dioxopyrazolidin-4-yl)-N-(4-propan-2-yloxyphenyl)acetamide is CC(C)Oc1ccc(NC(=O)CC2C(=O)NNC2=O)cc1.
What is the InChIKey of 2-(3,5-dioxopyrazolidin-4-yl)-N-(4-propan-2-yloxyphenyl)acetamide?
The InChIKey is NZWUSBHIXZEXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-8(2)21-10-5-3-9(4-6-10)15-12(18)7-11-13(19)16-17-14(11)20/h3-6,8,11H,7H2,1-2H3,(H,15,18)(H,16,19)(H,17,20).
What are the key properties of 2-(3,5-dioxopyrazolidin-4-yl)-N-(4-propan-2-yloxyphenyl)acetamide?
2-(3,5-dioxopyrazolidin-4-yl)-N-(4-propan-2-yloxyphenyl)acetamide has a molecular weight of 291.31 g/mol, XLogP of 0.58, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dioxopyrazolidin-4-yl)-N-(4-propan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 110703347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).