2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]acetamide

C14H21N5O3 — CID 99954223

IUPAC2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]acetamide
SMILESCCc1c(C)nn(CCNC(=O)C[C@H]2NC(=O)NC2=O)c1C
InChIInChI=1S/C14H21N5O3/c1-4-10-8(2)18-19(9(10)3)6-5-15-12(20)7-11-13(21)17-14(22)16-11/h11H,4-7H2,1-3H3,(H,15,20)(H2,16,17,21,22)/t11-/m1/s1
InChIKeyPIOLGEKIUHLNNR-LLVKDONJSA-N
MW307.35 g/mol
LogP-0.22
Rot. Bonds6

About 2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]acetamide

2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]acetamide (PubChem CID 99954223) has the molecular formula C14H21N5O3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]acetamide
PubChem CID99954223
Molecular FormulaC14H21N5O3
Molecular Weight307.35 g/mol
Exact Mass307.16
IUPAC Name2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]acetamide
SMILESCCc1c(C)nn(CCNC(=O)C[C@H]2NC(=O)NC2=O)c1C
InChIInChI=1S/C14H21N5O3/c1-4-10-8(2)18-19(9(10)3)6-5-15-12(20)7-11-13(21)17-14(22)16-11/h11H,4-7H2,1-3H3,(H,15,20)(H2,16,17,21,22)/t11-/m1/s1
InChIKeyPIOLGEKIUHLNNR-LLVKDONJSA-N
XLogP-0.22
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]acetamide?
The IUPAC name of 2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]acetamide (CID 99954223) is 2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]acetamide is CCc1c(C)nn(CCNC(=O)C[C@H]2NC(=O)NC2=O)c1C.
What is the InChIKey of 2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]acetamide?
The InChIKey is PIOLGEKIUHLNNR-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21N5O3/c1-4-10-8(2)18-19(9(10)3)6-5-15-12(20)7-11-13(21)17-14(22)16-11/h11H,4-7H2,1-3H3,(H,15,20)(H2,16,17,21,22)/t11-/m1/s1.
What are the key properties of 2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]acetamide?
2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]acetamide has a molecular weight of 307.35 g/mol, XLogP of -0.22, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 99954223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).