2-acetyl-4-(methoxymethyl)-N-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide

C21H31N3O3 — CID 91922154

IUPAC2-acetyl-4-(methoxymethyl)-N-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCOCC1CN(C(C)=O)CC12CCN(C(=O)NCCc1ccccc1)CC2
InChIInChI=1S/C21H31N3O3/c1-17(25)24-14-19(15-27-2)21(16-24)9-12-23(13-10-21)20(26)22-11-8-18-6-4-3-5-7-18/h3-7,19H,8-16H2,1-2H3,(H,22,26)
InChIKeyJBWVSTXTQBMYTL-UHFFFAOYSA-N
MW373.50 g/mol
LogP2.15
Rot. Bonds5

About 2-acetyl-4-(methoxymethyl)-N-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide

2-acetyl-4-(methoxymethyl)-N-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 91922154) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-acetyl-4-(methoxymethyl)-N-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound Name2-acetyl-4-(methoxymethyl)-N-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide
PubChem CID91922154
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name2-acetyl-4-(methoxymethyl)-N-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCOCC1CN(C(C)=O)CC12CCN(C(=O)NCCc1ccccc1)CC2
InChIInChI=1S/C21H31N3O3/c1-17(25)24-14-19(15-27-2)21(16-24)9-12-23(13-10-21)20(26)22-11-8-18-6-4-3-5-7-18/h3-7,19H,8-16H2,1-2H3,(H,22,26)
InChIKeyJBWVSTXTQBMYTL-UHFFFAOYSA-N
XLogP2.15
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-acetyl-4-(methoxymethyl)-N-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(3-oxo-3-piperidin-1-ylpropyl)-3-phenylpyrrolidine-1-carboxamide
CID 56822120
N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 71868397
N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 71971667
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 71971684
N-(2-phenylbutyl)-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide
CID 84600364
2-(2-Fluorophenyl)-1-[4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-YL]ethan-1-one
CID 91910477
N-(4-fluorobenzyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 91910495
1-[8-(4-Fluorobenzyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]dec-2-yl]-1-ethanone
CID 91922137
2-Acetyl-N~8~-(4-fluorobenzyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 91922157
2-cyclobutyl-N-(4-fluorobenzyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 91922221
2-N-benzyl-4-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
CID 118741042
N-({2-[2-(3-fluorophenyl)acetyl]-8-oxa-2-azaspiro[4.5]dec-4-yl}methyl)-1-pyrrolidinecarboxamide
CID 124072084

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-4-(methoxymethyl)-N-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of 2-acetyl-4-(methoxymethyl)-N-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide (CID 91922154) is 2-acetyl-4-(methoxymethyl)-N-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for 2-acetyl-4-(methoxymethyl)-N-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for 2-acetyl-4-(methoxymethyl)-N-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide is COCC1CN(C(C)=O)CC12CCN(C(=O)NCCc1ccccc1)CC2.
What is the InChIKey of 2-acetyl-4-(methoxymethyl)-N-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide?
The InChIKey is JBWVSTXTQBMYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-17(25)24-14-19(15-27-2)21(16-24)9-12-23(13-10-21)20(26)22-11-8-18-6-4-3-5-7-18/h3-7,19H,8-16H2,1-2H3,(H,22,26).
What are the key properties of 2-acetyl-4-(methoxymethyl)-N-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide?
2-acetyl-4-(methoxymethyl)-N-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-4-(methoxymethyl)-N-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 91922154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).