2-[(5-chloro-2,3-dimethoxyphenyl)methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane

C20H31ClN2O3 — CID 45246733

IUPAC2-[(5-chloro-2,3-dimethoxyphenyl)methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane
SMILESCOCCN1CCCC2(CCN(Cc3cc(Cl)cc(OC)c3OC)C2)C1
InChIInChI=1S/C20H31ClN2O3/c1-24-10-9-22-7-4-5-20(14-22)6-8-23(15-20)13-16-11-17(21)12-18(25-2)19(16)26-3/h11-12H,4-10,13-15H2,1-3H3
InChIKeyBUQUROLZKISZFL-UHFFFAOYSA-N
MW382.93 g/mol
LogP3.29
Rot. Bonds7

About 2-[(5-chloro-2,3-dimethoxyphenyl)methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane

2-[(5-chloro-2,3-dimethoxyphenyl)methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane (PubChem CID 45246733) has the molecular formula C20H31ClN2O3 and a molecular weight of 382.93 g/mol. Its IUPAC name is 2-[(5-chloro-2,3-dimethoxyphenyl)methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-[(5-chloro-2,3-dimethoxyphenyl)methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane
PubChem CID45246733
Molecular FormulaC20H31ClN2O3
Molecular Weight382.93 g/mol
Exact Mass382.20
IUPAC Name2-[(5-chloro-2,3-dimethoxyphenyl)methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane
SMILESCOCCN1CCCC2(CCN(Cc3cc(Cl)cc(OC)c3OC)C2)C1
InChIInChI=1S/C20H31ClN2O3/c1-24-10-9-22-7-4-5-20(14-22)6-8-23(15-20)13-16-11-17(21)12-18(25-2)19(16)26-3/h11-12H,4-10,13-15H2,1-3H3
InChIKeyBUQUROLZKISZFL-UHFFFAOYSA-N
XLogP3.29
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.93
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2,3-dimethoxyphenyl)methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane?
The IUPAC name of 2-[(5-chloro-2,3-dimethoxyphenyl)methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane (CID 45246733) is 2-[(5-chloro-2,3-dimethoxyphenyl)methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for 2-[(5-chloro-2,3-dimethoxyphenyl)methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane?
The canonical SMILES for 2-[(5-chloro-2,3-dimethoxyphenyl)methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane is COCCN1CCCC2(CCN(Cc3cc(Cl)cc(OC)c3OC)C2)C1.
What is the InChIKey of 2-[(5-chloro-2,3-dimethoxyphenyl)methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane?
The InChIKey is BUQUROLZKISZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31ClN2O3/c1-24-10-9-22-7-4-5-20(14-22)6-8-23(15-20)13-16-11-17(21)12-18(25-2)19(16)26-3/h11-12H,4-10,13-15H2,1-3H3.
What are the key properties of 2-[(5-chloro-2,3-dimethoxyphenyl)methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane?
2-[(5-chloro-2,3-dimethoxyphenyl)methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane has a molecular weight of 382.93 g/mol, XLogP of 3.29, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2,3-dimethoxyphenyl)methyl]-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 45246733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).