(12R,23R)-14,21-dioxa-1,8-diazatricyclo[21.3.0.08,12]hexacosane

C22H42N2O2 — CID 141070274

IUPAC(12R,23R)-14,21-dioxa-1,8-diazatricyclo[21.3.0.08,12]hexacosane
SMILESC1CCCOC[C@H]2CCCN2CCCCCCN2CCC[C@@H]2COCC1
InChIInChI=1S/C22H42N2O2/c1-2-6-14-24-16-10-12-22(24)20-26-18-8-4-3-7-17-25-19-21-11-9-15-23(21)13-5-1/h21-22H,1-20H2/t21-,22-/m1/s1
InChIKeyGKKMFKBGHDGOPI-FGZHOGPDSA-N
MW366.59 g/mol
LogP4.08
Rot. Bonds

About (12R,23R)-14,21-dioxa-1,8-diazatricyclo[21.3.0.08,12]hexacosane

(12R,23R)-14,21-dioxa-1,8-diazatricyclo[21.3.0.08,12]hexacosane (PubChem CID 141070274) has the molecular formula C22H42N2O2 and a molecular weight of 366.59 g/mol. Its IUPAC name is (12R,23R)-14,21-dioxa-1,8-diazatricyclo[21.3.0.08,12]hexacosane.

Molecular Properties

Compound Name(12R,23R)-14,21-dioxa-1,8-diazatricyclo[21.3.0.08,12]hexacosane
PubChem CID141070274
Molecular FormulaC22H42N2O2
Molecular Weight366.59 g/mol
Exact Mass366.32
IUPAC Name(12R,23R)-14,21-dioxa-1,8-diazatricyclo[21.3.0.08,12]hexacosane
SMILESC1CCCOC[C@H]2CCCN2CCCCCCN2CCC[C@@H]2COCC1
InChIInChI=1S/C22H42N2O2/c1-2-6-14-24-16-10-12-22(24)20-26-18-8-4-3-7-17-25-19-21-11-9-15-23(21)13-5-1/h21-22H,1-20H2/t21-,22-/m1/s1
InChIKeyGKKMFKBGHDGOPI-FGZHOGPDSA-N
XLogP4.08
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.59
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4R)-2-[(1S)-3-[(2R,3S)-3-fluoro-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidin-1-yl]-1-propan-2-yloxypropyl]-4-methoxy-1-methylpyrrolidine
CID 169981563
(2S)-2-(methoxymethyl)-1-[3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propyl]pyrrolidine
CID 101686884
1-Methyl-2-[(1-methylpyrrolidin-2-yl)methoxymethyl]pyrrolidine
CID 67416554
3-Butyl-2-[3-(3-butyl-1,3-oxazolidin-2-yl)propyl]-2-methyl-1,3-oxazolidine
CID 121424027
3-Butyl-2-[3-(3-butyl-1,3-oxazolidin-2-yl)propyl]-1,3-oxazolidine
CID 121424028
2-(Methoxymethyl)-1-[2-(1-methylpyrrolidin-3-yl)oxyethyl]pyrrolidine
CID 135179078
2-(Ethoxymethyl)-1-[2-[(1-methylpyrrolidin-2-yl)methoxy]ethyl]pyrrolidine
CID 135179579
(12R,21R)-14,19-dioxa-1,8-diazatricyclo[19.3.0.08,12]tetracosane
CID 141070277
(12R,25R)-14,23-dioxa-1,8-diazatricyclo[23.3.0.08,12]octacosane
CID 141070286
(2R)-2-(methoxymethyl)-1-[2-methyl-4-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methoxy]butyl]pyrrolidine
CID 146250562
(2S,4R)-2-(ethoxymethyl)-4-methoxy-1-(2-methoxyethyl)pyrrolidine;4-methoxy-1-(2-methoxyethyl)-2-(methoxymethyl)pyrrolidine
CID 153584804
Ethane;3-ethoxy-1-methylpyrrolidine;2-(methoxymethyl)-1-methylpyrrolidine
CID 153585239

Frequently Asked Questions

What is the IUPAC name of (12R,23R)-14,21-dioxa-1,8-diazatricyclo[21.3.0.08,12]hexacosane?
The IUPAC name of (12R,23R)-14,21-dioxa-1,8-diazatricyclo[21.3.0.08,12]hexacosane (CID 141070274) is (12R,23R)-14,21-dioxa-1,8-diazatricyclo[21.3.0.08,12]hexacosane.
What is the SMILES notation for (12R,23R)-14,21-dioxa-1,8-diazatricyclo[21.3.0.08,12]hexacosane?
The canonical SMILES for (12R,23R)-14,21-dioxa-1,8-diazatricyclo[21.3.0.08,12]hexacosane is C1CCCOC[C@H]2CCCN2CCCCCCN2CCC[C@@H]2COCC1.
What is the InChIKey of (12R,23R)-14,21-dioxa-1,8-diazatricyclo[21.3.0.08,12]hexacosane?
The InChIKey is GKKMFKBGHDGOPI-FGZHOGPDSA-N. The full InChI is InChI=1S/C22H42N2O2/c1-2-6-14-24-16-10-12-22(24)20-26-18-8-4-3-7-17-25-19-21-11-9-15-23(21)13-5-1/h21-22H,1-20H2/t21-,22-/m1/s1.
What are the key properties of (12R,23R)-14,21-dioxa-1,8-diazatricyclo[21.3.0.08,12]hexacosane?
(12R,23R)-14,21-dioxa-1,8-diazatricyclo[21.3.0.08,12]hexacosane has a molecular weight of 366.59 g/mol, XLogP of 4.08, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (12R,23R)-14,21-dioxa-1,8-diazatricyclo[21.3.0.08,12]hexacosane is sourced from PubChem (CID 141070274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).