1-(9H-carbazol-1-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-one

C24H24N2O4 — CID 171380184

IUPAC1-(9H-carbazol-1-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-one
SMILESCOc1ccccc1OCCNCC(=O)COc1cccc2c1[nH]c1ccccc12
InChIInChI=1S/C24H24N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-8-19-18-7-2-3-9-20(18)26-24(19)23/h2-12,25-26H,13-16H2,1H3
InChIKeyJMWMGTRSRQBPIT-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.95
Rot. Bonds10

About 1-(9H-carbazol-1-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-one

1-(9H-carbazol-1-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-one (PubChem CID 171380184) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is 1-(9H-carbazol-1-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-one.

Molecular Properties

Compound Name1-(9H-carbazol-1-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-one
PubChem CID171380184
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Name1-(9H-carbazol-1-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-one
SMILESCOc1ccccc1OCCNCC(=O)COc1cccc2c1[nH]c1ccccc12
InChIInChI=1S/C24H24N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-8-19-18-7-2-3-9-20(18)26-24(19)23/h2-12,25-26H,13-16H2,1H3
InChIKeyJMWMGTRSRQBPIT-UHFFFAOYSA-N
XLogP3.95
TPSA72.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.95
H-Bond Donors ≤ 52
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-1-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-yl] benzoate
CID 70082649
N-[2-(2-methoxyphenoxy)ethyl]-1H-indazole-3-carboxamide
CID 4785814
methyl 4-[(Z)-2-(9H-carbazol-1-yloxymethyl)-3-oxoprop-1-enyl]benzoate
CID 87893026
N-ethyl-2-[2-(2-methoxyphenoxy)ethylamino]acetamide
CID 60672629
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-[2-hydroxy-3-[2-(2-methoxyphenoxy)ethylamino]propyl]-9H-carbazol-4-ol
CID 54007436
1-methoxy-9H-carbazole;oxirane
CID 175234481
1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol;propan-2-ol;hydrobromide
CID 11376246
[1-(9H-carbazol-1-yloxy)-3-[[2-(2-methoxyphenoxy)-3-phenylpropyl]amino]propan-2-yl] benzoate
CID 70083700
N-[2-(2-methoxyphenoxy)ethyl]hexadecan-1-amine
CID 54796021
2-hydroxy-3-[2-(2-methoxyphenoxy)ethylamino]propanamide
CID 106174794

Frequently Asked Questions

What is the IUPAC name of 1-(9H-carbazol-1-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-one?
The IUPAC name of 1-(9H-carbazol-1-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-one (CID 171380184) is 1-(9H-carbazol-1-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-one.
What is the SMILES notation for 1-(9H-carbazol-1-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-one?
The canonical SMILES for 1-(9H-carbazol-1-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-one is COc1ccccc1OCCNCC(=O)COc1cccc2c1[nH]c1ccccc12.
What is the InChIKey of 1-(9H-carbazol-1-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-one?
The InChIKey is JMWMGTRSRQBPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-8-19-18-7-2-3-9-20(18)26-24(19)23/h2-12,25-26H,13-16H2,1H3.
What are the key properties of 1-(9H-carbazol-1-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-one?
1-(9H-carbazol-1-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-one has a molecular weight of 404.47 g/mol, XLogP of 3.95, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-carbazol-1-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-one is sourced from PubChem (CID 171380184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).