2-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane

C19H30N2O3 — CID 120906848

IUPAC2-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane
SMILESCOCCOc1ccc(CN2CCC3(CCNCC3)C2)cc1OC
InChIInChI=1S/C19H30N2O3/c1-22-11-12-24-17-4-3-16(13-18(17)23-2)14-21-10-7-19(15-21)5-8-20-9-6-19/h3-4,13,20H,5-12,14-15H2,1-2H3
InChIKeyBJTNFWJHVWDEKF-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.30
Rot. Bonds7

About 2-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane

2-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane (PubChem CID 120906848) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 2-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane
PubChem CID120906848
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name2-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane
SMILESCOCCOc1ccc(CN2CCC3(CCNCC3)C2)cc1OC
InChIInChI=1S/C19H30N2O3/c1-22-11-12-24-17-4-3-16(13-18(17)23-2)14-21-10-7-19(15-21)5-8-20-9-6-19/h3-4,13,20H,5-12,14-15H2,1-2H3
InChIKeyBJTNFWJHVWDEKF-UHFFFAOYSA-N
XLogP2.30
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906820
[1-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780613
2-[(3-ethoxy-4-propoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908142
2-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2,7-diazaspiro[4.4]nonane
CID 120908013
2-[(3-chloro-4-methoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908725
2-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906722
2-[(2,5-dimethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906879
2-[(4-methoxy-3,5-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120906518
1-[(4-methoxy-3-propoxyphenyl)methyl]piperazine
CID 39364163
2-[(3-propoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120906573
2-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2,7-diazaspiro[4.4]nonane
CID 120908585
2-[(4-fluoro-3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120907093

Frequently Asked Questions

What is the IUPAC name of 2-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane (CID 120906848) is 2-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane is COCCOc1ccc(CN2CCC3(CCNCC3)C2)cc1OC.
What is the InChIKey of 2-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane?
The InChIKey is BJTNFWJHVWDEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-22-11-12-24-17-4-3-16(13-18(17)23-2)14-21-10-7-19(15-21)5-8-20-9-6-19/h3-4,13,20H,5-12,14-15H2,1-2H3.
What are the key properties of 2-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane?
2-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane has a molecular weight of 334.46 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 120906848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).