1-(9H-carbazol-4-yloxy)-3-[2-(6-methoxycyclohexa-1,5-dien-1-yl)oxyethylamino]propan-2-ol

C24H28N2O4 — CID 163589000

IUPAC1-(9H-carbazol-4-yloxy)-3-[2-(6-methoxycyclohexa-1,5-dien-1-yl)oxyethylamino]propan-2-ol
SMILESCOC1=CCCC=C1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12
InChIInChI=1S/C24H28N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-3,6-12,17,25-27H,4-5,13-16H2,1H3
InChIKeyGNXVGOCWRARGQU-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.88
Rot. Bonds10

About 1-(9H-carbazol-4-yloxy)-3-[2-(6-methoxycyclohexa-1,5-dien-1-yl)oxyethylamino]propan-2-ol

1-(9H-carbazol-4-yloxy)-3-[2-(6-methoxycyclohexa-1,5-dien-1-yl)oxyethylamino]propan-2-ol (PubChem CID 163589000) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is 1-(9H-carbazol-4-yloxy)-3-[2-(6-methoxycyclohexa-1,5-dien-1-yl)oxyethylamino]propan-2-ol.

Molecular Properties

Compound Name1-(9H-carbazol-4-yloxy)-3-[2-(6-methoxycyclohexa-1,5-dien-1-yl)oxyethylamino]propan-2-ol
PubChem CID163589000
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name1-(9H-carbazol-4-yloxy)-3-[2-(6-methoxycyclohexa-1,5-dien-1-yl)oxyethylamino]propan-2-ol
SMILESCOC1=CCCC=C1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12
InChIInChI=1S/C24H28N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-3,6-12,17,25-27H,4-5,13-16H2,1H3
InChIKeyGNXVGOCWRARGQU-UHFFFAOYSA-N
XLogP3.88
TPSA75.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol
CID 2585
1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;hydrochloride
CID 11419372
1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;propan-2-ol;hydrobromide
CID 11376246
1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxy-4-phenylmethoxyphenoxy)ethylamino]propan-2-ol
CID 5235392
1,3-bis(9H-carbazol-4-yloxy)propan-2-ol
CID 71314054
1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
CID 68857872
(2S)-1-[2-(2-methoxyphenoxy)ethylamino]-3-(6,7,8,9-tetrahydro-5H-carbazol-4-yloxy)propan-2-ol
CID 95162870
(2R)-1-(9H-carbazol-4-yloxy)butan-2-ol
CID 58878130
1-(9H-carbazol-4-yloxy)-3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)propan-2-ol;hydrochloride
CID 162640454
3-(9H-carbazol-4-yloxy)-2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]propan-1-amine;1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethyl-methylamino]propan-2-ol;2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-3-(9-methylcarbazol-4-yl)oxypropan-1-amine;1-[2-(2-methoxyphenoxy)ethylamino]-3-(9-methylcarbazol-4-yl)oxypropan-2-ol
CID 159401542
1-[(1S,2R)-2-[2-[4-[2-[[(2R)-3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]ethoxy]-3-methoxyphenyl]ethoxy]cyclohexyl]pyrrolidin-3-ol
CID 66992266
(3R)-1-[(1R,2R)-2-[2-[4-[2-[[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]amino]ethoxy]-3-methoxyphenyl]ethoxy]cyclohexyl]pyrrolidin-3-ol;1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol
CID 158771658

Frequently Asked Questions

What is the IUPAC name of 1-(9H-carbazol-4-yloxy)-3-[2-(6-methoxycyclohexa-1,5-dien-1-yl)oxyethylamino]propan-2-ol?
The IUPAC name of 1-(9H-carbazol-4-yloxy)-3-[2-(6-methoxycyclohexa-1,5-dien-1-yl)oxyethylamino]propan-2-ol (CID 163589000) is 1-(9H-carbazol-4-yloxy)-3-[2-(6-methoxycyclohexa-1,5-dien-1-yl)oxyethylamino]propan-2-ol.
What is the SMILES notation for 1-(9H-carbazol-4-yloxy)-3-[2-(6-methoxycyclohexa-1,5-dien-1-yl)oxyethylamino]propan-2-ol?
The canonical SMILES for 1-(9H-carbazol-4-yloxy)-3-[2-(6-methoxycyclohexa-1,5-dien-1-yl)oxyethylamino]propan-2-ol is COC1=CCCC=C1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12.
What is the InChIKey of 1-(9H-carbazol-4-yloxy)-3-[2-(6-methoxycyclohexa-1,5-dien-1-yl)oxyethylamino]propan-2-ol?
The InChIKey is GNXVGOCWRARGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-3,6-12,17,25-27H,4-5,13-16H2,1H3.
What are the key properties of 1-(9H-carbazol-4-yloxy)-3-[2-(6-methoxycyclohexa-1,5-dien-1-yl)oxyethylamino]propan-2-ol?
1-(9H-carbazol-4-yloxy)-3-[2-(6-methoxycyclohexa-1,5-dien-1-yl)oxyethylamino]propan-2-ol has a molecular weight of 408.50 g/mol, XLogP of 3.88, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-carbazol-4-yloxy)-3-[2-(6-methoxycyclohexa-1,5-dien-1-yl)oxyethylamino]propan-2-ol is sourced from PubChem (CID 163589000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).