2-(2-hydroxyethyl)-9-[(2-methoxy-5-propan-2-ylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one

C22H34N2O3 — CID 70763802

IUPAC2-(2-hydroxyethyl)-9-[(2-methoxy-5-propan-2-ylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOc1ccc(C(C)C)cc1CN1CCC2(CCC(=O)N(CCO)C2)CC1
InChIInChI=1S/C22H34N2O3/c1-17(2)18-4-5-20(27-3)19(14-18)15-23-10-8-22(9-11-23)7-6-21(26)24(16-22)12-13-25/h4-5,14,17,25H,6-13,15-16H2,1-3H3
InChIKeyLQCBXJZNITZLOU-UHFFFAOYSA-N
MW374.53 g/mol
LogP3.02
Rot. Bonds6

About 2-(2-hydroxyethyl)-9-[(2-methoxy-5-propan-2-ylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one

2-(2-hydroxyethyl)-9-[(2-methoxy-5-propan-2-ylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70763802) has the molecular formula C22H34N2O3 and a molecular weight of 374.53 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-9-[(2-methoxy-5-propan-2-ylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-9-[(2-methoxy-5-propan-2-ylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70763802
Molecular FormulaC22H34N2O3
Molecular Weight374.53 g/mol
Exact Mass374.26
IUPAC Name2-(2-hydroxyethyl)-9-[(2-methoxy-5-propan-2-ylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOc1ccc(C(C)C)cc1CN1CCC2(CCC(=O)N(CCO)C2)CC1
InChIInChI=1S/C22H34N2O3/c1-17(2)18-4-5-20(27-3)19(14-18)15-23-10-8-22(9-11-23)7-6-21(26)24(16-22)12-13-25/h4-5,14,17,25H,6-13,15-16H2,1-3H3
InChIKeyLQCBXJZNITZLOU-UHFFFAOYSA-N
XLogP3.02
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-9-[(2-methoxy-5-propan-2-ylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(2-hydroxyethyl)-9-[(2-methoxy-5-propan-2-ylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 70763802) is 2-(2-hydroxyethyl)-9-[(2-methoxy-5-propan-2-ylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(2-hydroxyethyl)-9-[(2-methoxy-5-propan-2-ylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(2-hydroxyethyl)-9-[(2-methoxy-5-propan-2-ylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one is COc1ccc(C(C)C)cc1CN1CCC2(CCC(=O)N(CCO)C2)CC1.
What is the InChIKey of 2-(2-hydroxyethyl)-9-[(2-methoxy-5-propan-2-ylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is LQCBXJZNITZLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O3/c1-17(2)18-4-5-20(27-3)19(14-18)15-23-10-8-22(9-11-23)7-6-21(26)24(16-22)12-13-25/h4-5,14,17,25H,6-13,15-16H2,1-3H3.
What are the key properties of 2-(2-hydroxyethyl)-9-[(2-methoxy-5-propan-2-ylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
2-(2-hydroxyethyl)-9-[(2-methoxy-5-propan-2-ylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 374.53 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-9-[(2-methoxy-5-propan-2-ylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70763802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).