2-[(3-chloro-5-methoxy-4-propoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane

C18H27ClN2O2 — CID 120907704

IUPAC2-[(3-chloro-5-methoxy-4-propoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane
SMILESCCCOc1c(Cl)cc(CN2CCC3(CCNC3)C2)cc1OC
InChIInChI=1S/C18H27ClN2O2/c1-3-8-23-17-15(19)9-14(10-16(17)22-2)11-21-7-5-18(13-21)4-6-20-12-18/h9-10,20H,3-8,11-13H2,1-2H3
InChIKeyUURVYPJRISHPLD-UHFFFAOYSA-N
MW338.88 g/mol
LogP3.32
Rot. Bonds6

About 2-[(3-chloro-5-methoxy-4-propoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane

2-[(3-chloro-5-methoxy-4-propoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane (PubChem CID 120907704) has the molecular formula C18H27ClN2O2 and a molecular weight of 338.88 g/mol. Its IUPAC name is 2-[(3-chloro-5-methoxy-4-propoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name2-[(3-chloro-5-methoxy-4-propoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane
PubChem CID120907704
Molecular FormulaC18H27ClN2O2
Molecular Weight338.88 g/mol
Exact Mass338.18
IUPAC Name2-[(3-chloro-5-methoxy-4-propoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane
SMILESCCCOc1c(Cl)cc(CN2CCC3(CCNC3)C2)cc1OC
InChIInChI=1S/C18H27ClN2O2/c1-3-8-23-17-15(19)9-14(10-16(17)22-2)11-21-7-5-18(13-21)4-6-20-12-18/h9-10,20H,3-8,11-13H2,1-2H3
InChIKeyUURVYPJRISHPLD-UHFFFAOYSA-N
XLogP3.32
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-5-methoxy-4-propoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane?
The IUPAC name of 2-[(3-chloro-5-methoxy-4-propoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane (CID 120907704) is 2-[(3-chloro-5-methoxy-4-propoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane.
What is the SMILES notation for 2-[(3-chloro-5-methoxy-4-propoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane?
The canonical SMILES for 2-[(3-chloro-5-methoxy-4-propoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane is CCCOc1c(Cl)cc(CN2CCC3(CCNC3)C2)cc1OC.
What is the InChIKey of 2-[(3-chloro-5-methoxy-4-propoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane?
The InChIKey is UURVYPJRISHPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O2/c1-3-8-23-17-15(19)9-14(10-16(17)22-2)11-21-7-5-18(13-21)4-6-20-12-18/h9-10,20H,3-8,11-13H2,1-2H3.
What are the key properties of 2-[(3-chloro-5-methoxy-4-propoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane?
2-[(3-chloro-5-methoxy-4-propoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane has a molecular weight of 338.88 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-5-methoxy-4-propoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 120907704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).