2-(2-methoxyethylamino)-4-(4-oxo-2,3-dihydro-1H-carbazol-9-yl)benzamide

C22H23N3O3 — CID 24812721

IUPAC2-(2-methoxyethylamino)-4-(4-oxo-2,3-dihydro-1H-carbazol-9-yl)benzamide
SMILESCOCCNc1cc(-n2c3c(c4ccccc42)C(=O)CCC3)ccc1C(N)=O
InChIInChI=1S/C22H23N3O3/c1-28-12-11-24-17-13-14(9-10-15(17)22(23)27)25-18-6-3-2-5-16(18)21-19(25)7-4-8-20(21)26/h2-3,5-6,9-10,13,24H,4,7-8,11-12H2,1H3,(H2,23,27)
InChIKeyXQKFKSJUBJPOLY-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.31
Rot. Bonds6

About 2-(2-methoxyethylamino)-4-(4-oxo-2,3-dihydro-1H-carbazol-9-yl)benzamide

2-(2-methoxyethylamino)-4-(4-oxo-2,3-dihydro-1H-carbazol-9-yl)benzamide (PubChem CID 24812721) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-4-(4-oxo-2,3-dihydro-1H-carbazol-9-yl)benzamide.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-4-(4-oxo-2,3-dihydro-1H-carbazol-9-yl)benzamide
PubChem CID24812721
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name2-(2-methoxyethylamino)-4-(4-oxo-2,3-dihydro-1H-carbazol-9-yl)benzamide
SMILESCOCCNc1cc(-n2c3c(c4ccccc42)C(=O)CCC3)ccc1C(N)=O
InChIInChI=1S/C22H23N3O3/c1-28-12-11-24-17-13-14(9-10-15(17)22(23)27)25-18-6-3-2-5-16(18)21-19(25)7-4-8-20(21)26/h2-3,5-6,9-10,13,24H,4,7-8,11-12H2,1H3,(H2,23,27)
InChIKeyXQKFKSJUBJPOLY-UHFFFAOYSA-N
XLogP3.31
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.31
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-4-(4-oxo-2,3-dihydro-1H-carbazol-9-yl)benzamide?
The IUPAC name of 2-(2-methoxyethylamino)-4-(4-oxo-2,3-dihydro-1H-carbazol-9-yl)benzamide (CID 24812721) is 2-(2-methoxyethylamino)-4-(4-oxo-2,3-dihydro-1H-carbazol-9-yl)benzamide.
What is the SMILES notation for 2-(2-methoxyethylamino)-4-(4-oxo-2,3-dihydro-1H-carbazol-9-yl)benzamide?
The canonical SMILES for 2-(2-methoxyethylamino)-4-(4-oxo-2,3-dihydro-1H-carbazol-9-yl)benzamide is COCCNc1cc(-n2c3c(c4ccccc42)C(=O)CCC3)ccc1C(N)=O.
What is the InChIKey of 2-(2-methoxyethylamino)-4-(4-oxo-2,3-dihydro-1H-carbazol-9-yl)benzamide?
The InChIKey is XQKFKSJUBJPOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-28-12-11-24-17-13-14(9-10-15(17)22(23)27)25-18-6-3-2-5-16(18)21-19(25)7-4-8-20(21)26/h2-3,5-6,9-10,13,24H,4,7-8,11-12H2,1H3,(H2,23,27).
What are the key properties of 2-(2-methoxyethylamino)-4-(4-oxo-2,3-dihydro-1H-carbazol-9-yl)benzamide?
2-(2-methoxyethylamino)-4-(4-oxo-2,3-dihydro-1H-carbazol-9-yl)benzamide has a molecular weight of 377.44 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-4-(4-oxo-2,3-dihydro-1H-carbazol-9-yl)benzamide is sourced from PubChem (CID 24812721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).