2-(1,3-benzodioxol-5-yloxy)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide

C21H20N2O4 — CID 126418545

IUPAC2-(1,3-benzodioxol-5-yloxy)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
SMILESO=C(COc1ccc2c(c1)OCO2)N[C@@H]1CCCc2c1[nH]c1ccccc21
InChIInChI=1S/C21H20N2O4/c24-20(11-25-13-8-9-18-19(10-13)27-12-26-18)22-17-7-3-5-15-14-4-1-2-6-16(14)23-21(15)17/h1-2,4,6,8-10,17,23H,3,5,7,11-12H2,(H,22,24)/t17-/m1/s1
InChIKeyROOHXRKRDKIZOM-QGZVFWFLSA-N
MW364.40 g/mol
LogP3.47
Rot. Bonds4

About 2-(1,3-benzodioxol-5-yloxy)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide

2-(1,3-benzodioxol-5-yloxy)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide (PubChem CID 126418545) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxy)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxy)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
PubChem CID126418545
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name2-(1,3-benzodioxol-5-yloxy)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
SMILESO=C(COc1ccc2c(c1)OCO2)N[C@@H]1CCCc2c1[nH]c1ccccc21
InChIInChI=1S/C21H20N2O4/c24-20(11-25-13-8-9-18-19(10-13)27-12-26-18)22-17-7-3-5-15-14-4-1-2-6-16(14)23-21(15)17/h1-2,4,6,8-10,17,23H,3,5,7,11-12H2,(H,22,24)/t17-/m1/s1
InChIKeyROOHXRKRDKIZOM-QGZVFWFLSA-N
XLogP3.47
TPSA72.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
CID 97489059
2-methoxy-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
CID 124604925
N-(1,3-benzodioxol-5-ylmethyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine;hydrochloride
CID 11337242
1-(1,3-benzodioxol-5-ylmethyl)-3-[(1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]urea
CID 125123129
(3S)-1-(1,3-benzodioxol-5-ylmethyl)-5-oxo-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]pyrrolidine-3-carboxamide
CID 126418465
2-(3,4-dimethoxyphenyl)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
CID 97496764
3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)propanamide
CID 75492025
N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-phenylacetamide
CID 97487908
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetamide
CID 75491673
N-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]cyclopropanecarboxamide
CID 124879022
2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]-N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
CID 97487705
N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
CID 75491916

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide (CID 126418545) is 2-(1,3-benzodioxol-5-yloxy)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxy)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxy)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide is O=C(COc1ccc2c(c1)OCO2)N[C@@H]1CCCc2c1[nH]c1ccccc21.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxy)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide?
The InChIKey is ROOHXRKRDKIZOM-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H20N2O4/c24-20(11-25-13-8-9-18-19(10-13)27-12-26-18)22-17-7-3-5-15-14-4-1-2-6-16(14)23-21(15)17/h1-2,4,6,8-10,17,23H,3,5,7,11-12H2,(H,22,24)/t17-/m1/s1.
What are the key properties of 2-(1,3-benzodioxol-5-yloxy)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide?
2-(1,3-benzodioxol-5-yloxy)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide has a molecular weight of 364.40 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yloxy)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide is sourced from PubChem (CID 126418545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).