1,4-bis[4-(2-hydroxyethylamino)phenyl]butane-1,4-dione

C20H24N2O4 — CID 70882599

IUPAC1,4-bis[4-(2-hydroxyethylamino)phenyl]butane-1,4-dione
SMILESO=C(CCC(=O)c1ccc(NCCO)cc1)c1ccc(NCCO)cc1
InChIInChI=1S/C20H24N2O4/c23-13-11-21-17-5-1-15(2-6-17)19(25)9-10-20(26)16-3-7-18(8-4-16)22-12-14-24/h1-8,21-24H,9-14H2
InChIKeyJJLNNHJCKLKQEQ-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.34
Rot. Bonds11

About 1,4-bis[4-(2-hydroxyethylamino)phenyl]butane-1,4-dione

1,4-bis[4-(2-hydroxyethylamino)phenyl]butane-1,4-dione (PubChem CID 70882599) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 1,4-bis[4-(2-hydroxyethylamino)phenyl]butane-1,4-dione.

Molecular Properties

Compound Name1,4-bis[4-(2-hydroxyethylamino)phenyl]butane-1,4-dione
PubChem CID70882599
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name1,4-bis[4-(2-hydroxyethylamino)phenyl]butane-1,4-dione
SMILESO=C(CCC(=O)c1ccc(NCCO)cc1)c1ccc(NCCO)cc1
InChIInChI=1S/C20H24N2O4/c23-13-11-21-17-5-1-15(2-6-17)19(25)9-10-20(26)16-3-7-18(8-4-16)22-12-14-24/h1-8,21-24H,9-14H2
InChIKeyJJLNNHJCKLKQEQ-UHFFFAOYSA-N
XLogP2.34
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-aminoanilino)-1-(4-aminophenyl)butan-1-one
CID 58212344
3-hydroxy-1-[4-(3-hydroxypropanoyl)phenyl]propan-1-one
CID 168820225
1-(4-bromophenyl)-3-(4-fluoroanilino)propan-1-one
CID 3403604
4-oxo-4-[4-(16,16,16-trifluorohexadecylamino)phenyl]butanoic acid
CID 20549352
1-(4-tert-butylphenyl)-3-(4-chloroanilino)propan-1-one
CID 5299877
1-(4-bromophenyl)-3-(4-phenylanilino)propan-1-one
CID 602905
1-(4-fluorophenyl)-3-(4-propan-2-ylanilino)propan-1-one
CID 4249451
1-[6-(2-hydroxyethylamino)naphthalen-2-yl]ethanone
CID 71475376
2-anilinoethanol;1,3-dihydroxypropan-2-one
CID 67927731
cycloheptyl 4-(2-hydroxyethylamino)benzoate
CID 61304114
3-(4-ethylanilino)-1-phenylpropan-1-one
CID 17383220
1-(3,4-dimethylphenyl)-3-(4-methylanilino)propan-1-one
CID 94278599

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[4-(2-hydroxyethylamino)phenyl]butane-1,4-dione?
The IUPAC name of 1,4-bis[4-(2-hydroxyethylamino)phenyl]butane-1,4-dione (CID 70882599) is 1,4-bis[4-(2-hydroxyethylamino)phenyl]butane-1,4-dione.
What is the SMILES notation for 1,4-bis[4-(2-hydroxyethylamino)phenyl]butane-1,4-dione?
The canonical SMILES for 1,4-bis[4-(2-hydroxyethylamino)phenyl]butane-1,4-dione is O=C(CCC(=O)c1ccc(NCCO)cc1)c1ccc(NCCO)cc1.
What is the InChIKey of 1,4-bis[4-(2-hydroxyethylamino)phenyl]butane-1,4-dione?
The InChIKey is JJLNNHJCKLKQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c23-13-11-21-17-5-1-15(2-6-17)19(25)9-10-20(26)16-3-7-18(8-4-16)22-12-14-24/h1-8,21-24H,9-14H2.
What are the key properties of 1,4-bis[4-(2-hydroxyethylamino)phenyl]butane-1,4-dione?
1,4-bis[4-(2-hydroxyethylamino)phenyl]butane-1,4-dione has a molecular weight of 356.42 g/mol, XLogP of 2.34, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[4-(2-hydroxyethylamino)phenyl]butane-1,4-dione is sourced from PubChem (CID 70882599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).