3-(4-chlorophenyl)-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione

C16H19ClN2O2 — CID 61295440

IUPAC3-(4-chlorophenyl)-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCCC1CCC2(CC1)NC(=O)N(c1ccc(Cl)cc1)C2=O
InChIInChI=1S/C16H19ClN2O2/c1-2-11-7-9-16(10-8-11)14(20)19(15(21)18-16)13-5-3-12(17)4-6-13/h3-6,11H,2,7-10H2,1H3,(H,18,21)
InChIKeyNHDYHUGGZSVKNP-UHFFFAOYSA-N
MW306.79 g/mol
LogP3.74
Rot. Bonds2

About 3-(4-chlorophenyl)-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione

3-(4-chlorophenyl)-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 61295440) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID61295440
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name3-(4-chlorophenyl)-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCCC1CCC2(CC1)NC(=O)N(c1ccc(Cl)cc1)C2=O
InChIInChI=1S/C16H19ClN2O2/c1-2-11-7-9-16(10-8-11)14(20)19(15(21)18-16)13-5-3-12(17)4-6-13/h3-6,11H,2,7-10H2,1H3,(H,18,21)
InChIKeyNHDYHUGGZSVKNP-UHFFFAOYSA-N
XLogP3.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 53.74
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-chlorophenyl)-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-(4-chlorophenyl)-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 61295440) is 3-(4-chlorophenyl)-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-(4-chlorophenyl)-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-(4-chlorophenyl)-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione is CCC1CCC2(CC1)NC(=O)N(c1ccc(Cl)cc1)C2=O.
What is the InChIKey of 3-(4-chlorophenyl)-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is NHDYHUGGZSVKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-2-11-7-9-16(10-8-11)14(20)19(15(21)18-16)13-5-3-12(17)4-6-13/h3-6,11H,2,7-10H2,1H3,(H,18,21).
What are the key properties of 3-(4-chlorophenyl)-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione?
3-(4-chlorophenyl)-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 306.79 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 61295440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).