3-[(4-propan-2-ylphenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione

C19H26N2O2 — CID 4798289

IUPAC3-[(4-propan-2-ylphenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
SMILESCC(C)c1ccc(CN2C(=O)NC3(CCCCCC3)C2=O)cc1
InChIInChI=1S/C19H26N2O2/c1-14(2)16-9-7-15(8-10-16)13-21-17(22)19(20-18(21)23)11-5-3-4-6-12-19/h7-10,14H,3-6,11-13H2,1-2H3,(H,20,23)
InChIKeyWVQHBWRSFSANBP-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.95
Rot. Bonds3

About 3-[(4-propan-2-ylphenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione

3-[(4-propan-2-ylphenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione (PubChem CID 4798289) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 3-[(4-propan-2-ylphenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione.

Molecular Properties

Compound Name3-[(4-propan-2-ylphenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
PubChem CID4798289
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name3-[(4-propan-2-ylphenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
SMILESCC(C)c1ccc(CN2C(=O)NC3(CCCCCC3)C2=O)cc1
InChIInChI=1S/C19H26N2O2/c1-14(2)16-9-7-15(8-10-16)13-21-17(22)19(20-18(21)23)11-5-3-4-6-12-19/h7-10,14H,3-6,11-13H2,1-2H3,(H,20,23)
InChIKeyWVQHBWRSFSANBP-UHFFFAOYSA-N
XLogP3.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-propan-2-ylphenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The IUPAC name of 3-[(4-propan-2-ylphenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione (CID 4798289) is 3-[(4-propan-2-ylphenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione.
What is the SMILES notation for 3-[(4-propan-2-ylphenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The canonical SMILES for 3-[(4-propan-2-ylphenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione is CC(C)c1ccc(CN2C(=O)NC3(CCCCCC3)C2=O)cc1.
What is the InChIKey of 3-[(4-propan-2-ylphenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The InChIKey is WVQHBWRSFSANBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-14(2)16-9-7-15(8-10-16)13-21-17(22)19(20-18(21)23)11-5-3-4-6-12-19/h7-10,14H,3-6,11-13H2,1-2H3,(H,20,23).
What are the key properties of 3-[(4-propan-2-ylphenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
3-[(4-propan-2-ylphenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione has a molecular weight of 314.43 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-propan-2-ylphenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione is sourced from PubChem (CID 4798289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).