10-[(3-methylphenyl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane

C21H32N2O2 — CID 118746846

IUPAC10-[(3-methylphenyl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESCc1cccc(CN2CCOCC3(CCN(C4CCOCC4)C3)C2)c1
InChIInChI=1S/C21H32N2O2/c1-18-3-2-4-19(13-18)14-22-9-12-25-17-21(15-22)7-8-23(16-21)20-5-10-24-11-6-20/h2-4,13,20H,5-12,14-17H2,1H3
InChIKeyAODHKFAVVHBZCC-UHFFFAOYSA-N
MW344.50 g/mol
LogP2.70
Rot. Bonds3

About 10-[(3-methylphenyl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane

10-[(3-methylphenyl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane (PubChem CID 118746846) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 10-[(3-methylphenyl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane.

Molecular Properties

Compound Name10-[(3-methylphenyl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane
PubChem CID118746846
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name10-[(3-methylphenyl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane
SMILESCc1cccc(CN2CCOCC3(CCN(C4CCOCC4)C3)C2)c1
InChIInChI=1S/C21H32N2O2/c1-18-3-2-4-19(13-18)14-22-9-12-25-17-21(15-22)7-8-23(16-21)20-5-10-24-11-6-20/h2-4,13,20H,5-12,14-17H2,1H3
InChIKeyAODHKFAVVHBZCC-UHFFFAOYSA-N
XLogP2.70
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-[(3-methylphenyl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane?
The IUPAC name of 10-[(3-methylphenyl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane (CID 118746846) is 10-[(3-methylphenyl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane.
What is the SMILES notation for 10-[(3-methylphenyl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane?
The canonical SMILES for 10-[(3-methylphenyl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane is Cc1cccc(CN2CCOCC3(CCN(C4CCOCC4)C3)C2)c1.
What is the InChIKey of 10-[(3-methylphenyl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane?
The InChIKey is AODHKFAVVHBZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-18-3-2-4-19(13-18)14-22-9-12-25-17-21(15-22)7-8-23(16-21)20-5-10-24-11-6-20/h2-4,13,20H,5-12,14-17H2,1H3.
What are the key properties of 10-[(3-methylphenyl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane?
10-[(3-methylphenyl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane has a molecular weight of 344.50 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(3-methylphenyl)methyl]-2-(oxan-4-yl)-7-oxa-2,10-diazaspiro[4.6]undecane is sourced from PubChem (CID 118746846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).