N-(2,5-dimethylpyrazol-3-yl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C18H27N5O3 — CID 51285334

IUPACN-(2,5-dimethylpyrazol-3-yl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCc1cc(NC(=O)CN2C(=O)NC3(CC(C)CC(C)(C)C3)C2=O)n(C)n1
InChIInChI=1S/C18H27N5O3/c1-11-7-17(3,4)10-18(8-11)15(25)23(16(26)20-18)9-14(24)19-13-6-12(2)21-22(13)5/h6,11H,7-10H2,1-5H3,(H,19,24)(H,20,26)
InChIKeyQMQXLQILLJBABH-UHFFFAOYSA-N
MW361.45 g/mol
LogP1.80
Rot. Bonds3

About N-(2,5-dimethylpyrazol-3-yl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

N-(2,5-dimethylpyrazol-3-yl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 51285334) has the molecular formula C18H27N5O3 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID51285334
Molecular FormulaC18H27N5O3
Molecular Weight361.45 g/mol
Exact Mass361.21
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCc1cc(NC(=O)CN2C(=O)NC3(CC(C)CC(C)(C)C3)C2=O)n(C)n1
InChIInChI=1S/C18H27N5O3/c1-11-7-17(3,4)10-18(8-11)15(25)23(16(26)20-18)9-14(24)19-13-6-12(2)21-22(13)5/h6,11H,7-10H2,1-5H3,(H,19,24)(H,20,26)
InChIKeyQMQXLQILLJBABH-UHFFFAOYSA-N
XLogP1.80
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 51.80
H-Bond Donors ≤ 52
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 N-(2,5-dimethylpyrazol-3-yl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 51285334) is N-(2,5-dimethylpyrazol-3-yl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is Cc1cc(NC(=O)CN2C(=O)NC3(CC(C)CC(C)(C)C3)C2=O)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is QMQXLQILLJBABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O3/c1-11-7-17(3,4)10-18(8-11)15(25)23(16(26)20-18)9-14(24)19-13-6-12(2)21-22(13)5/h6,11H,7-10H2,1-5H3,(H,19,24)(H,20,26).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-(2,5-dimethylpyrazol-3-yl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 361.45 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 51285334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).