[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate

C21H33N3O5 — CID 55367166

IUPAC[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
SMILESCC(OC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O)C(=O)NC1CCCCC1C
InChIInChI=1S/C21H33N3O5/c1-14-9-5-6-10-16(14)22-18(26)15(2)29-17(25)13-24-19(27)21(23(3)20(24)28)11-7-4-8-12-21/h14-16H,4-13H2,1-3H3,(H,22,26)
InChIKeyMSROYCKWFWEIPC-UHFFFAOYSA-N
MW407.51 g/mol
LogP2.21
Rot. Bonds5

About [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate

[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate (PubChem CID 55367166) has the molecular formula C21H33N3O5 and a molecular weight of 407.51 g/mol. Its IUPAC name is [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate.

Molecular Properties

Compound Name[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
PubChem CID55367166
Molecular FormulaC21H33N3O5
Molecular Weight407.51 g/mol
Exact Mass407.24
IUPAC Name[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
SMILESCC(OC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O)C(=O)NC1CCCCC1C
InChIInChI=1S/C21H33N3O5/c1-14-9-5-6-10-16(14)22-18(26)15(2)29-17(25)13-24-19(27)21(23(3)20(24)28)11-7-4-8-12-21/h14-16H,4-13H2,1-3H3,(H,22,26)
InChIKeyMSROYCKWFWEIPC-UHFFFAOYSA-N
XLogP2.21
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
The IUPAC name of [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate (CID 55367166) is [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate.
What is the SMILES notation for [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
The canonical SMILES for [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate is CC(OC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O)C(=O)NC1CCCCC1C.
What is the InChIKey of [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
The InChIKey is MSROYCKWFWEIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O5/c1-14-9-5-6-10-16(14)22-18(26)15(2)29-17(25)13-24-19(27)21(23(3)20(24)28)11-7-4-8-12-21/h14-16H,4-13H2,1-3H3,(H,22,26).
What are the key properties of [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate has a molecular weight of 407.51 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate is sourced from PubChem (CID 55367166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).