2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

C22H29N3O3 — CID 4801283

IUPAC2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCCCCC2)C1=O)NC1CCCc2ccccc21
InChIInChI=1S/C22H29N3O3/c26-19(23-18-12-8-10-16-9-4-5-11-17(16)18)15-25-20(27)22(24-21(25)28)13-6-2-1-3-7-14-22/h4-5,9,11,18H,1-3,6-8,10,12-15H2,(H,23,26)(H,24,28)
InChIKeyQNYYWARDRCBVFO-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.22
Rot. Bonds3

About 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 4801283) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
PubChem CID4801283
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCCCCC2)C1=O)NC1CCCc2ccccc21
InChIInChI=1S/C22H29N3O3/c26-19(23-18-12-8-10-16-9-4-5-11-17(16)18)15-25-20(27)22(24-21(25)28)13-6-2-1-3-7-14-22/h4-5,9,11,18H,1-3,6-8,10,12-15H2,(H,23,26)(H,24,28)
InChIKeyQNYYWARDRCBVFO-UHFFFAOYSA-N
XLogP3.22
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 4801283) is 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is O=C(CN1C(=O)NC2(CCCCCCC2)C1=O)NC1CCCc2ccccc21.
What is the InChIKey of 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is QNYYWARDRCBVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c26-19(23-18-12-8-10-16-9-4-5-11-17(16)18)15-25-20(27)22(24-21(25)28)13-6-2-1-3-7-14-22/h4-5,9,11,18H,1-3,6-8,10,12-15H2,(H,23,26)(H,24,28).
What are the key properties of 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 383.49 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 4801283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).