1-(7-benzoyl-9H-fluoren-2-yl)-2-benzyl-2-(2-hydroxyethylamino)butan-1-one

C33H31NO3 — CID 163773437

IUPAC1-(7-benzoyl-9H-fluoren-2-yl)-2-benzyl-2-(2-hydroxyethylamino)butan-1-one
SMILESCCC(Cc1ccccc1)(NCCO)C(=O)c1ccc2c(c1)Cc1cc(C(=O)c3ccccc3)ccc1-2
InChIInChI=1S/C33H31NO3/c1-2-33(34-17-18-35,22-23-9-5-3-6-10-23)32(37)26-14-16-30-28(20-26)21-27-19-25(13-15-29(27)30)31(36)24-11-7-4-8-12-24/h3-16,19-20,34-35H,2,17-18,21-22H2,1H3
InChIKeyMIJJSBYQYPFPGJ-UHFFFAOYSA-N
MW489.62 g/mol
LogP5.64
Rot. Bonds10

About 1-(7-benzoyl-9H-fluoren-2-yl)-2-benzyl-2-(2-hydroxyethylamino)butan-1-one

1-(7-benzoyl-9H-fluoren-2-yl)-2-benzyl-2-(2-hydroxyethylamino)butan-1-one (PubChem CID 163773437) has the molecular formula C33H31NO3 and a molecular weight of 489.62 g/mol. Its IUPAC name is 1-(7-benzoyl-9H-fluoren-2-yl)-2-benzyl-2-(2-hydroxyethylamino)butan-1-one.

Molecular Properties

Compound Name1-(7-benzoyl-9H-fluoren-2-yl)-2-benzyl-2-(2-hydroxyethylamino)butan-1-one
PubChem CID163773437
Molecular FormulaC33H31NO3
Molecular Weight489.62 g/mol
Exact Mass489.23
IUPAC Name1-(7-benzoyl-9H-fluoren-2-yl)-2-benzyl-2-(2-hydroxyethylamino)butan-1-one
SMILESCCC(Cc1ccccc1)(NCCO)C(=O)c1ccc2c(c1)Cc1cc(C(=O)c3ccccc3)ccc1-2
InChIInChI=1S/C33H31NO3/c1-2-33(34-17-18-35,22-23-9-5-3-6-10-23)32(37)26-14-16-30-28(20-26)21-27-19-25(13-15-29(27)30)31(36)24-11-7-4-8-12-24/h3-16,19-20,34-35H,2,17-18,21-22H2,1H3
InChIKeyMIJJSBYQYPFPGJ-UHFFFAOYSA-N
XLogP5.64
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.62
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(7-benzoyl-9H-fluoren-2-yl)-2-(dimethylamino)-2-methyl-3-phenylpropan-1-one
CID 146767273
1-(9H-fluoren-2-yl)-3-phenylpropane-1,3-dione
CID 132527641
[3-(9H-fluorene-2-carbonyl)phenyl]-(9H-fluoren-2-yl)methanone
CID 10552019
9H-fluoren-2-yl-(4-phenylphenyl)methanone
CID 91678788
N-(3-hydroxypropyl)-9H-fluorene-2-carboxamide
CID 78869667
2-benzyl-2-(cyclopropylamino)butanamide
CID 79007963
2-benzyl-2-(ethylamino)-3-phenylpropanoic acid
CID 43753784
(4-aminophenyl)-(3-ethylphenyl)methanone
CID 116548793
(3-aminophenyl)-phenylmethanone
CID 17817
9H-fluoren-2-yl(9,9'-spirobi[fluorene]-2-yl)methanone
CID 146631569
1-(9,10-dihydroanthracen-2-yl)-2-hydroxy-2-methylpropan-1-one
CID 177311615
1-(2,3-dihydro-1H-inden-5-yl)-4-phenylbutane-1,4-dione
CID 90371119

Frequently Asked Questions

What is the IUPAC name of 1-(7-benzoyl-9H-fluoren-2-yl)-2-benzyl-2-(2-hydroxyethylamino)butan-1-one?
The IUPAC name of 1-(7-benzoyl-9H-fluoren-2-yl)-2-benzyl-2-(2-hydroxyethylamino)butan-1-one (CID 163773437) is 1-(7-benzoyl-9H-fluoren-2-yl)-2-benzyl-2-(2-hydroxyethylamino)butan-1-one.
What is the SMILES notation for 1-(7-benzoyl-9H-fluoren-2-yl)-2-benzyl-2-(2-hydroxyethylamino)butan-1-one?
The canonical SMILES for 1-(7-benzoyl-9H-fluoren-2-yl)-2-benzyl-2-(2-hydroxyethylamino)butan-1-one is CCC(Cc1ccccc1)(NCCO)C(=O)c1ccc2c(c1)Cc1cc(C(=O)c3ccccc3)ccc1-2.
What is the InChIKey of 1-(7-benzoyl-9H-fluoren-2-yl)-2-benzyl-2-(2-hydroxyethylamino)butan-1-one?
The InChIKey is MIJJSBYQYPFPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31NO3/c1-2-33(34-17-18-35,22-23-9-5-3-6-10-23)32(37)26-14-16-30-28(20-26)21-27-19-25(13-15-29(27)30)31(36)24-11-7-4-8-12-24/h3-16,19-20,34-35H,2,17-18,21-22H2,1H3.
What are the key properties of 1-(7-benzoyl-9H-fluoren-2-yl)-2-benzyl-2-(2-hydroxyethylamino)butan-1-one?
1-(7-benzoyl-9H-fluoren-2-yl)-2-benzyl-2-(2-hydroxyethylamino)butan-1-one has a molecular weight of 489.62 g/mol, XLogP of 5.64, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-benzoyl-9H-fluoren-2-yl)-2-benzyl-2-(2-hydroxyethylamino)butan-1-one is sourced from PubChem (CID 163773437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).