15-(4-methoxyphenyl)-2,5,12,18-tetraoxa-15-azatricyclo[17.4.0.06,11]tricosa-1(23),6,8,10,19,21-hexaene

C25H27NO5 — CID 101382430

IUPAC15-(4-methoxyphenyl)-2,5,12,18-tetraoxa-15-azatricyclo[17.4.0.06,11]tricosa-1(23),6,8,10,19,21-hexaene
SMILESCOc1ccc(N2CCOc3ccccc3OCCOc3ccccc3OCC2)cc1
InChIInChI=1S/C25H27NO5/c1-27-21-12-10-20(11-13-21)26-14-16-28-22-6-2-4-8-24(22)30-18-19-31-25-9-5-3-7-23(25)29-17-15-26/h2-13H,14-19H2,1H3
InChIKeyQAWKPCKZDOYCLC-UHFFFAOYSA-N
MW421.49 g/mol
LogP4.43
Rot. Bonds2

About 15-(4-methoxyphenyl)-2,5,12,18-tetraoxa-15-azatricyclo[17.4.0.06,11]tricosa-1(23),6,8,10,19,21-hexaene

15-(4-methoxyphenyl)-2,5,12,18-tetraoxa-15-azatricyclo[17.4.0.06,11]tricosa-1(23),6,8,10,19,21-hexaene (PubChem CID 101382430) has the molecular formula C25H27NO5 and a molecular weight of 421.49 g/mol. Its IUPAC name is 15-(4-methoxyphenyl)-2,5,12,18-tetraoxa-15-azatricyclo[17.4.0.06,11]tricosa-1(23),6,8,10,19,21-hexaene.

Molecular Properties

Compound Name15-(4-methoxyphenyl)-2,5,12,18-tetraoxa-15-azatricyclo[17.4.0.06,11]tricosa-1(23),6,8,10,19,21-hexaene
PubChem CID101382430
Molecular FormulaC25H27NO5
Molecular Weight421.49 g/mol
Exact Mass421.19
IUPAC Name15-(4-methoxyphenyl)-2,5,12,18-tetraoxa-15-azatricyclo[17.4.0.06,11]tricosa-1(23),6,8,10,19,21-hexaene
SMILESCOc1ccc(N2CCOc3ccccc3OCCOc3ccccc3OCC2)cc1
InChIInChI=1S/C25H27NO5/c1-27-21-12-10-20(11-13-21)26-14-16-28-22-6-2-4-8-24(22)30-18-19-31-25-9-5-3-7-23(25)29-17-15-26/h2-13H,14-19H2,1H3
InChIKeyQAWKPCKZDOYCLC-UHFFFAOYSA-N
XLogP4.43
TPSA49.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.49
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

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4-[4,6-bis[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]morpholine
CID 10076145
1-(4-methoxyphenyl)piperidine
CID 10130315
2,3-dihydro-1,4-benzodioxin-3-yl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 3147861
1-[(3S)-3,4-dihydro-2H-chromen-3-yl]-4-(4-methoxyphenyl)piperazine
CID 92968617
(4-methoxyphenyl)-(4-morpholin-4-ylphenyl)methanone
CID 22731230
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-[1-(4-methoxyphenyl)piperidin-4-yl]methanamine
CID 10690393
(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]prop-2-en-1-one
CID 9158468
(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 1214367
1-(6-methoxy-3,4-dihydro-2H-chromen-4-yl)-4-(4-methoxyphenyl)piperazine
CID 3067672
3,4-dihydro-2H-chromen-3-yl-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 18093513
ethane;ethene;1-(4-methoxyphenyl)piperidine
CID 144518047

Frequently Asked Questions

What is the IUPAC name of 15-(4-methoxyphenyl)-2,5,12,18-tetraoxa-15-azatricyclo[17.4.0.06,11]tricosa-1(23),6,8,10,19,21-hexaene?
The IUPAC name of 15-(4-methoxyphenyl)-2,5,12,18-tetraoxa-15-azatricyclo[17.4.0.06,11]tricosa-1(23),6,8,10,19,21-hexaene (CID 101382430) is 15-(4-methoxyphenyl)-2,5,12,18-tetraoxa-15-azatricyclo[17.4.0.06,11]tricosa-1(23),6,8,10,19,21-hexaene.
What is the SMILES notation for 15-(4-methoxyphenyl)-2,5,12,18-tetraoxa-15-azatricyclo[17.4.0.06,11]tricosa-1(23),6,8,10,19,21-hexaene?
The canonical SMILES for 15-(4-methoxyphenyl)-2,5,12,18-tetraoxa-15-azatricyclo[17.4.0.06,11]tricosa-1(23),6,8,10,19,21-hexaene is COc1ccc(N2CCOc3ccccc3OCCOc3ccccc3OCC2)cc1.
What is the InChIKey of 15-(4-methoxyphenyl)-2,5,12,18-tetraoxa-15-azatricyclo[17.4.0.06,11]tricosa-1(23),6,8,10,19,21-hexaene?
The InChIKey is QAWKPCKZDOYCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO5/c1-27-21-12-10-20(11-13-21)26-14-16-28-22-6-2-4-8-24(22)30-18-19-31-25-9-5-3-7-23(25)29-17-15-26/h2-13H,14-19H2,1H3.
What are the key properties of 15-(4-methoxyphenyl)-2,5,12,18-tetraoxa-15-azatricyclo[17.4.0.06,11]tricosa-1(23),6,8,10,19,21-hexaene?
15-(4-methoxyphenyl)-2,5,12,18-tetraoxa-15-azatricyclo[17.4.0.06,11]tricosa-1(23),6,8,10,19,21-hexaene has a molecular weight of 421.49 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(4-methoxyphenyl)-2,5,12,18-tetraoxa-15-azatricyclo[17.4.0.06,11]tricosa-1(23),6,8,10,19,21-hexaene is sourced from PubChem (CID 101382430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).