methyl 2-[[3-oxo-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]amino]acetate

C21H27N3O4 — CID 91940564

IUPACmethyl 2-[[3-oxo-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)N1CCC2(CC1)CC(=O)N(CC=Cc1ccccc1)C2
InChIInChI=1S/C21H27N3O4/c1-28-19(26)15-22-20(27)23-12-9-21(10-13-23)14-18(25)24(16-21)11-5-8-17-6-3-2-4-7-17/h2-8H,9-16H2,1H3,(H,22,27)
InChIKeyNCEIHAMOIRIEBT-UHFFFAOYSA-N
MW385.46 g/mol
LogP1.90
Rot. Bonds5

About methyl 2-[[3-oxo-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]amino]acetate

methyl 2-[[3-oxo-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]amino]acetate (PubChem CID 91940564) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is methyl 2-[[3-oxo-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[3-oxo-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]amino]acetate
PubChem CID91940564
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Namemethyl 2-[[3-oxo-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)N1CCC2(CC1)CC(=O)N(CC=Cc1ccccc1)C2
InChIInChI=1S/C21H27N3O4/c1-28-19(26)15-22-20(27)23-12-9-21(10-13-23)14-18(25)24(16-21)11-5-8-17-6-3-2-4-7-17/h2-8H,9-16H2,1H3,(H,22,27)
InChIKeyNCEIHAMOIRIEBT-UHFFFAOYSA-N
XLogP1.90
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[3-oxo-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]amino]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 methyl 2-[[3-oxo-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[[3-oxo-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]amino]acetate (CID 91940564) is methyl 2-[[3-oxo-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[3-oxo-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[3-oxo-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]amino]acetate is COC(=O)CNC(=O)N1CCC2(CC1)CC(=O)N(CC=Cc1ccccc1)C2.
What is the InChIKey of methyl 2-[[3-oxo-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]amino]acetate?
The InChIKey is NCEIHAMOIRIEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-28-19(26)15-22-20(27)23-12-9-21(10-13-23)14-18(25)24(16-21)11-5-8-17-6-3-2-4-7-17/h2-8H,9-16H2,1H3,(H,22,27).
What are the key properties of methyl 2-[[3-oxo-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]amino]acetate?
methyl 2-[[3-oxo-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]amino]acetate has a molecular weight of 385.46 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-oxo-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]amino]acetate is sourced from PubChem (CID 91940564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).