6-benzyl-N-[2-(2-ethylpentoxy)ethyl]-2,6-diazaspiro[3.4]octane-8-carboxamide

C23H37N3O2 — CID 164604774

IUPAC6-benzyl-N-[2-(2-ethylpentoxy)ethyl]-2,6-diazaspiro[3.4]octane-8-carboxamide
SMILESCCCC(CC)COCCNC(=O)C1CN(Cc2ccccc2)CC12CNC2
InChIInChI=1S/C23H37N3O2/c1-3-8-19(4-2)15-28-12-11-25-22(27)21-14-26(18-23(21)16-24-17-23)13-20-9-6-5-7-10-20/h5-7,9-10,19,21,24H,3-4,8,11-18H2,1-2H3,(H,25,27)
InChIKeyIVANFYVPKFMXMD-UHFFFAOYSA-N
MW387.57 g/mol
LogP2.67
Rot. Bonds11

About 6-benzyl-N-[2-(2-ethylpentoxy)ethyl]-2,6-diazaspiro[3.4]octane-8-carboxamide

6-benzyl-N-[2-(2-ethylpentoxy)ethyl]-2,6-diazaspiro[3.4]octane-8-carboxamide (PubChem CID 164604774) has the molecular formula C23H37N3O2 and a molecular weight of 387.57 g/mol. Its IUPAC name is 6-benzyl-N-[2-(2-ethylpentoxy)ethyl]-2,6-diazaspiro[3.4]octane-8-carboxamide.

Molecular Properties

Compound Name6-benzyl-N-[2-(2-ethylpentoxy)ethyl]-2,6-diazaspiro[3.4]octane-8-carboxamide
PubChem CID164604774
Molecular FormulaC23H37N3O2
Molecular Weight387.57 g/mol
Exact Mass387.29
IUPAC Name6-benzyl-N-[2-(2-ethylpentoxy)ethyl]-2,6-diazaspiro[3.4]octane-8-carboxamide
SMILESCCCC(CC)COCCNC(=O)C1CN(Cc2ccccc2)CC12CNC2
InChIInChI=1S/C23H37N3O2/c1-3-8-19(4-2)15-28-12-11-25-22(27)21-14-26(18-23(21)16-24-17-23)13-20-9-6-5-7-10-20/h5-7,9-10,19,21,24H,3-4,8,11-18H2,1-2H3,(H,25,27)
InChIKeyIVANFYVPKFMXMD-UHFFFAOYSA-N
XLogP2.67
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.57
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(1S)-2,2-dimethylcyclopropanecarbonyl]-N-[2-(2-ethylpentoxy)ethyl]-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-5-carboxamide
CID 164604278
propyl 2-benzyl-2-azaspiro[4.5]decane-4-carboxylate
CID 167224628
1-benzyl-4,4-dimethylpyrrolidine-3-carboxylic acid
CID 5081554
diethyl 1-benzyl-3-methylpyrrolidine-3,4-dicarboxylate
CID 70324739
[(8R)-5-benzyl-8-methyl-5-azaspiro[2.5]octan-7-yl]carbamic acid
CID 20792051
2-O-tert-butyl 8-O-methyl 6-benzyl-6-azaspiro[3.4]octane-2,8-dicarboxylate
CID 177454583
N-[(7S)-5-benzyl-5-azaspiro[2.4]heptan-7-yl]acetamide
CID 139918944
ethyl (2R)-2-[(1R,5S)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]propanoate
CID 175923548
1-(1-benzylazetidin-3-yl)-2-methylbutan-1-one
CID 170701764
[(4S)-2-benzyl-2,8-diazaspiro[4.5]decan-4-yl]methanol
CID 99728174
methyl (3R,4S)-1-benzyl-4-(iodomethyl)-3-pentylpyrrolidine-3-carboxylate
CID 101414762
(3R,4R)-4-benzoyl-1-benzyl-N-ethylpyrrolidine-3-carboxamide
CID 92592724

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-N-[2-(2-ethylpentoxy)ethyl]-2,6-diazaspiro[3.4]octane-8-carboxamide?
The IUPAC name of 6-benzyl-N-[2-(2-ethylpentoxy)ethyl]-2,6-diazaspiro[3.4]octane-8-carboxamide (CID 164604774) is 6-benzyl-N-[2-(2-ethylpentoxy)ethyl]-2,6-diazaspiro[3.4]octane-8-carboxamide.
What is the SMILES notation for 6-benzyl-N-[2-(2-ethylpentoxy)ethyl]-2,6-diazaspiro[3.4]octane-8-carboxamide?
The canonical SMILES for 6-benzyl-N-[2-(2-ethylpentoxy)ethyl]-2,6-diazaspiro[3.4]octane-8-carboxamide is CCCC(CC)COCCNC(=O)C1CN(Cc2ccccc2)CC12CNC2.
What is the InChIKey of 6-benzyl-N-[2-(2-ethylpentoxy)ethyl]-2,6-diazaspiro[3.4]octane-8-carboxamide?
The InChIKey is IVANFYVPKFMXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O2/c1-3-8-19(4-2)15-28-12-11-25-22(27)21-14-26(18-23(21)16-24-17-23)13-20-9-6-5-7-10-20/h5-7,9-10,19,21,24H,3-4,8,11-18H2,1-2H3,(H,25,27).
What are the key properties of 6-benzyl-N-[2-(2-ethylpentoxy)ethyl]-2,6-diazaspiro[3.4]octane-8-carboxamide?
6-benzyl-N-[2-(2-ethylpentoxy)ethyl]-2,6-diazaspiro[3.4]octane-8-carboxamide has a molecular weight of 387.57 g/mol, XLogP of 2.67, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-N-[2-(2-ethylpentoxy)ethyl]-2,6-diazaspiro[3.4]octane-8-carboxamide is sourced from PubChem (CID 164604774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).