[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate

C19H29N3O5 — CID 7822123

IUPAC[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
SMILESCCN(C(=O)COC(=O)CN1C(=O)NC2(CCCC2)C1=O)C1CCCCC1
InChIInChI=1S/C19H29N3O5/c1-2-21(14-8-4-3-5-9-14)15(23)13-27-16(24)12-22-17(25)19(20-18(22)26)10-6-7-11-19/h14H,2-13H2,1H3,(H,20,26)
InChIKeyDQZGNBIJEGEIBX-UHFFFAOYSA-N
MW379.46 g/mol
LogP1.58
Rot. Bonds6

About [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate

[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate (PubChem CID 7822123) has the molecular formula C19H29N3O5 and a molecular weight of 379.46 g/mol. Its IUPAC name is [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate.

Molecular Properties

Compound Name[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
PubChem CID7822123
Molecular FormulaC19H29N3O5
Molecular Weight379.46 g/mol
Exact Mass379.21
IUPAC Name[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
SMILESCCN(C(=O)COC(=O)CN1C(=O)NC2(CCCC2)C1=O)C1CCCCC1
InChIInChI=1S/C19H29N3O5/c1-2-21(14-8-4-3-5-9-14)15(23)13-27-16(24)12-22-17(25)19(20-18(22)26)10-6-7-11-19/h14H,2-13H2,1H3,(H,20,26)
InChIKeyDQZGNBIJEGEIBX-UHFFFAOYSA-N
XLogP1.58
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate?
The IUPAC name of [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate (CID 7822123) is [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate.
What is the SMILES notation for [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate?
The canonical SMILES for [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate is CCN(C(=O)COC(=O)CN1C(=O)NC2(CCCC2)C1=O)C1CCCCC1.
What is the InChIKey of [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate?
The InChIKey is DQZGNBIJEGEIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O5/c1-2-21(14-8-4-3-5-9-14)15(23)13-27-16(24)12-22-17(25)19(20-18(22)26)10-6-7-11-19/h14H,2-13H2,1H3,(H,20,26).
What are the key properties of [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate?
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate has a molecular weight of 379.46 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate is sourced from PubChem (CID 7822123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).