9-(2-hydroxyethyl)-1-[(2-methoxy-3,5-dimethylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one

C20H30N2O3 — CID 162635884

IUPAC9-(2-hydroxyethyl)-1-[(2-methoxy-3,5-dimethylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one
SMILESCOc1c(C)cc(C)cc1CN1CCCC12CCCN(CCO)C2=O
InChIInChI=1S/C20H30N2O3/c1-15-12-16(2)18(25-3)17(13-15)14-22-9-5-7-20(22)6-4-8-21(10-11-23)19(20)24/h12-13,23H,4-11,14H2,1-3H3
InChIKeyVMFKEDKGXYJJPS-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.26
Rot. Bonds5

About 9-(2-hydroxyethyl)-1-[(2-methoxy-3,5-dimethylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one

9-(2-hydroxyethyl)-1-[(2-methoxy-3,5-dimethylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162635884) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 9-(2-hydroxyethyl)-1-[(2-methoxy-3,5-dimethylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name9-(2-hydroxyethyl)-1-[(2-methoxy-3,5-dimethylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162635884
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name9-(2-hydroxyethyl)-1-[(2-methoxy-3,5-dimethylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one
SMILESCOc1c(C)cc(C)cc1CN1CCCC12CCCN(CCO)C2=O
InChIInChI=1S/C20H30N2O3/c1-15-12-16(2)18(25-3)17(13-15)14-22-9-5-7-20(22)6-4-8-21(10-11-23)19(20)24/h12-13,23H,4-11,14H2,1-3H3
InChIKeyVMFKEDKGXYJJPS-UHFFFAOYSA-N
XLogP2.26
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(2-hydroxyethyl)-1-[(2-methoxy-3,5-dimethylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 9-(2-hydroxyethyl)-1-[(2-methoxy-3,5-dimethylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one (CID 162635884) is 9-(2-hydroxyethyl)-1-[(2-methoxy-3,5-dimethylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 9-(2-hydroxyethyl)-1-[(2-methoxy-3,5-dimethylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 9-(2-hydroxyethyl)-1-[(2-methoxy-3,5-dimethylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one is COc1c(C)cc(C)cc1CN1CCCC12CCCN(CCO)C2=O.
What is the InChIKey of 9-(2-hydroxyethyl)-1-[(2-methoxy-3,5-dimethylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is VMFKEDKGXYJJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-15-12-16(2)18(25-3)17(13-15)14-22-9-5-7-20(22)6-4-8-21(10-11-23)19(20)24/h12-13,23H,4-11,14H2,1-3H3.
What are the key properties of 9-(2-hydroxyethyl)-1-[(2-methoxy-3,5-dimethylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one?
9-(2-hydroxyethyl)-1-[(2-methoxy-3,5-dimethylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 346.47 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-hydroxyethyl)-1-[(2-methoxy-3,5-dimethylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162635884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).