3'-(5-hydroxypentyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione

C17H22N2O3 — CID 111469932

IUPAC3'-(5-hydroxypentyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC2(CCc3ccccc3C2)C(=O)N1CCCCCO
InChIInChI=1S/C17H22N2O3/c20-11-5-1-4-10-19-15(21)17(18-16(19)22)9-8-13-6-2-3-7-14(13)12-17/h2-3,6-7,20H,1,4-5,8-12H2,(H,18,22)
InChIKeyTUTXYPKWDDQQRZ-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.63
Rot. Bonds5

About 3'-(5-hydroxypentyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione

3'-(5-hydroxypentyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione (PubChem CID 111469932) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 3'-(5-hydroxypentyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione.

Molecular Properties

Compound Name3'-(5-hydroxypentyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
PubChem CID111469932
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name3'-(5-hydroxypentyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione
SMILESO=C1NC2(CCc3ccccc3C2)C(=O)N1CCCCCO
InChIInChI=1S/C17H22N2O3/c20-11-5-1-4-10-19-15(21)17(18-16(19)22)9-8-13-6-2-3-7-14(13)12-17/h2-3,6-7,20H,1,4-5,8-12H2,(H,18,22)
InChIKeyTUTXYPKWDDQQRZ-UHFFFAOYSA-N
XLogP1.63
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3'-(5-hydroxypentyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione?
The IUPAC name of 3'-(5-hydroxypentyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione (CID 111469932) is 3'-(5-hydroxypentyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione.
What is the SMILES notation for 3'-(5-hydroxypentyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione?
The canonical SMILES for 3'-(5-hydroxypentyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione is O=C1NC2(CCc3ccccc3C2)C(=O)N1CCCCCO.
What is the InChIKey of 3'-(5-hydroxypentyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione?
The InChIKey is TUTXYPKWDDQQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c20-11-5-1-4-10-19-15(21)17(18-16(19)22)9-8-13-6-2-3-7-14(13)12-17/h2-3,6-7,20H,1,4-5,8-12H2,(H,18,22).
What are the key properties of 3'-(5-hydroxypentyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione?
3'-(5-hydroxypentyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione has a molecular weight of 302.37 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-(5-hydroxypentyl)spiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2',4'-dione is sourced from PubChem (CID 111469932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).