2-(1,3-dioxo-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)ethyl 2,2-diphenylacetate

C27H32N2O4 — CID 1032854

IUPAC2-(1,3-dioxo-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)ethyl 2,2-diphenylacetate
SMILESCC(C)N1C(=O)CC2(CCN(CCOC(=O)C(c3ccccc3)c3ccccc3)CC2)C1=O
InChIInChI=1S/C27H32N2O4/c1-20(2)29-23(30)19-27(26(29)32)13-15-28(16-14-27)17-18-33-25(31)24(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-12,20,24H,13-19H2,1-2H3
InChIKeyCJGWVLLCXGHSFU-UHFFFAOYSA-N
MW448.56 g/mol
LogP3.61
Rot. Bonds7

About 2-(1,3-dioxo-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)ethyl 2,2-diphenylacetate

2-(1,3-dioxo-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)ethyl 2,2-diphenylacetate (PubChem CID 1032854) has the molecular formula C27H32N2O4 and a molecular weight of 448.56 g/mol. Its IUPAC name is 2-(1,3-dioxo-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)ethyl 2,2-diphenylacetate.

Molecular Properties

Compound Name2-(1,3-dioxo-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)ethyl 2,2-diphenylacetate
PubChem CID1032854
Molecular FormulaC27H32N2O4
Molecular Weight448.56 g/mol
Exact Mass448.24
IUPAC Name2-(1,3-dioxo-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)ethyl 2,2-diphenylacetate
SMILESCC(C)N1C(=O)CC2(CCN(CCOC(=O)C(c3ccccc3)c3ccccc3)CC2)C1=O
InChIInChI=1S/C27H32N2O4/c1-20(2)29-23(30)19-27(26(29)32)13-15-28(16-14-27)17-18-33-25(31)24(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-12,20,24H,13-19H2,1-2H3
InChIKeyCJGWVLLCXGHSFU-UHFFFAOYSA-N
XLogP3.61
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.56
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxo-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)ethyl 2,2-diphenylacetate?
The IUPAC name of 2-(1,3-dioxo-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)ethyl 2,2-diphenylacetate (CID 1032854) is 2-(1,3-dioxo-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)ethyl 2,2-diphenylacetate.
What is the SMILES notation for 2-(1,3-dioxo-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)ethyl 2,2-diphenylacetate?
The canonical SMILES for 2-(1,3-dioxo-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)ethyl 2,2-diphenylacetate is CC(C)N1C(=O)CC2(CCN(CCOC(=O)C(c3ccccc3)c3ccccc3)CC2)C1=O.
What is the InChIKey of 2-(1,3-dioxo-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)ethyl 2,2-diphenylacetate?
The InChIKey is CJGWVLLCXGHSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O4/c1-20(2)29-23(30)19-27(26(29)32)13-15-28(16-14-27)17-18-33-25(31)24(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-12,20,24H,13-19H2,1-2H3.
What are the key properties of 2-(1,3-dioxo-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)ethyl 2,2-diphenylacetate?
2-(1,3-dioxo-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)ethyl 2,2-diphenylacetate has a molecular weight of 448.56 g/mol, XLogP of 3.61, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxo-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl)ethyl 2,2-diphenylacetate is sourced from PubChem (CID 1032854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).