1-[6-benzoyl-9-(2-ethoxyethyl)carbazol-3-yl]-2-methyl-2-morpholin-4-ylpropan-1-one

C31H34N2O4 — CID 147554398

IUPAC1-[6-benzoyl-9-(2-ethoxyethyl)carbazol-3-yl]-2-methyl-2-morpholin-4-ylpropan-1-one
SMILESCCOCCn1c2ccc(C(=O)c3ccccc3)cc2c2cc(C(=O)C(C)(C)N3CCOCC3)ccc21
InChIInChI=1S/C31H34N2O4/c1-4-36-19-16-33-27-12-10-23(29(34)22-8-6-5-7-9-22)20-25(27)26-21-24(11-13-28(26)33)30(35)31(2,3)32-14-17-37-18-15-32/h5-13,20-21H,4,14-19H2,1-3H3
InChIKeyFRKBOIVHTAHOAV-UHFFFAOYSA-N
MW498.62 g/mol
LogP5.36
Rot. Bonds9

About 1-[6-benzoyl-9-(2-ethoxyethyl)carbazol-3-yl]-2-methyl-2-morpholin-4-ylpropan-1-one

1-[6-benzoyl-9-(2-ethoxyethyl)carbazol-3-yl]-2-methyl-2-morpholin-4-ylpropan-1-one (PubChem CID 147554398) has the molecular formula C31H34N2O4 and a molecular weight of 498.62 g/mol. Its IUPAC name is 1-[6-benzoyl-9-(2-ethoxyethyl)carbazol-3-yl]-2-methyl-2-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-[6-benzoyl-9-(2-ethoxyethyl)carbazol-3-yl]-2-methyl-2-morpholin-4-ylpropan-1-one
PubChem CID147554398
Molecular FormulaC31H34N2O4
Molecular Weight498.62 g/mol
Exact Mass498.25
IUPAC Name1-[6-benzoyl-9-(2-ethoxyethyl)carbazol-3-yl]-2-methyl-2-morpholin-4-ylpropan-1-one
SMILESCCOCCn1c2ccc(C(=O)c3ccccc3)cc2c2cc(C(=O)C(C)(C)N3CCOCC3)ccc21
InChIInChI=1S/C31H34N2O4/c1-4-36-19-16-33-27-12-10-23(29(34)22-8-6-5-7-9-22)20-25(27)26-21-24(11-13-28(26)33)30(35)31(2,3)32-14-17-37-18-15-32/h5-13,20-21H,4,14-19H2,1-3H3
InChIKeyFRKBOIVHTAHOAV-UHFFFAOYSA-N
XLogP5.36
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.62
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 1-[6-benzoyl-9-(2-ethoxyethyl)carbazol-3-yl]-2-methyl-2-morpholin-4-ylpropan-1-one?
The IUPAC name of 1-[6-benzoyl-9-(2-ethoxyethyl)carbazol-3-yl]-2-methyl-2-morpholin-4-ylpropan-1-one (CID 147554398) is 1-[6-benzoyl-9-(2-ethoxyethyl)carbazol-3-yl]-2-methyl-2-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 1-[6-benzoyl-9-(2-ethoxyethyl)carbazol-3-yl]-2-methyl-2-morpholin-4-ylpropan-1-one?
The canonical SMILES for 1-[6-benzoyl-9-(2-ethoxyethyl)carbazol-3-yl]-2-methyl-2-morpholin-4-ylpropan-1-one is CCOCCn1c2ccc(C(=O)c3ccccc3)cc2c2cc(C(=O)C(C)(C)N3CCOCC3)ccc21.
What is the InChIKey of 1-[6-benzoyl-9-(2-ethoxyethyl)carbazol-3-yl]-2-methyl-2-morpholin-4-ylpropan-1-one?
The InChIKey is FRKBOIVHTAHOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N2O4/c1-4-36-19-16-33-27-12-10-23(29(34)22-8-6-5-7-9-22)20-25(27)26-21-24(11-13-28(26)33)30(35)31(2,3)32-14-17-37-18-15-32/h5-13,20-21H,4,14-19H2,1-3H3.
What are the key properties of 1-[6-benzoyl-9-(2-ethoxyethyl)carbazol-3-yl]-2-methyl-2-morpholin-4-ylpropan-1-one?
1-[6-benzoyl-9-(2-ethoxyethyl)carbazol-3-yl]-2-methyl-2-morpholin-4-ylpropan-1-one has a molecular weight of 498.62 g/mol, XLogP of 5.36, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-benzoyl-9-(2-ethoxyethyl)carbazol-3-yl]-2-methyl-2-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 147554398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).