3-[4-(diethylamino)phenyl]-4-phenylcyclobut-3-ene-1,2-dione

C20H19NO2 — CID 134977150

IUPAC3-[4-(diethylamino)phenyl]-4-phenylcyclobut-3-ene-1,2-dione
SMILESCCN(CC)c1ccc(-c2c(-c3ccccc3)c(=O)c2=O)cc1
InChIInChI=1S/C20H19NO2/c1-3-21(4-2)16-12-10-15(11-13-16)18-17(19(22)20(18)23)14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3
InChIKeyLVUYTGMXNXWDCA-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.46
Rot. Bonds5

About 3-[4-(diethylamino)phenyl]-4-phenylcyclobut-3-ene-1,2-dione

3-[4-(diethylamino)phenyl]-4-phenylcyclobut-3-ene-1,2-dione (PubChem CID 134977150) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-[4-(diethylamino)phenyl]-4-phenylcyclobut-3-ene-1,2-dione.

Molecular Properties

Compound Name3-[4-(diethylamino)phenyl]-4-phenylcyclobut-3-ene-1,2-dione
PubChem CID134977150
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name3-[4-(diethylamino)phenyl]-4-phenylcyclobut-3-ene-1,2-dione
SMILESCCN(CC)c1ccc(-c2c(-c3ccccc3)c(=O)c2=O)cc1
InChIInChI=1S/C20H19NO2/c1-3-21(4-2)16-12-10-15(11-13-16)18-17(19(22)20(18)23)14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3
InChIKeyLVUYTGMXNXWDCA-UHFFFAOYSA-N
XLogP3.46
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

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CID 71350905
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1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
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N,N-diethylaniline;hydrazine
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1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
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2,4,5,6-tetrakis[4-(diethylamino)phenyl]benzene-1,3-diamine
CID 174913167
CID 161146216
CID 161146216
dichloromethane;N,N-diethylaniline
CID 157472052
3-[4-(diethylamino)anilino]-1-methyl-4-phenylpyrrole-2,5-dione
CID 110594541
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CID 172757601
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CID 4999017

Frequently Asked Questions

What is the IUPAC name of 3-[4-(diethylamino)phenyl]-4-phenylcyclobut-3-ene-1,2-dione?
The IUPAC name of 3-[4-(diethylamino)phenyl]-4-phenylcyclobut-3-ene-1,2-dione (CID 134977150) is 3-[4-(diethylamino)phenyl]-4-phenylcyclobut-3-ene-1,2-dione.
What is the SMILES notation for 3-[4-(diethylamino)phenyl]-4-phenylcyclobut-3-ene-1,2-dione?
The canonical SMILES for 3-[4-(diethylamino)phenyl]-4-phenylcyclobut-3-ene-1,2-dione is CCN(CC)c1ccc(-c2c(-c3ccccc3)c(=O)c2=O)cc1.
What is the InChIKey of 3-[4-(diethylamino)phenyl]-4-phenylcyclobut-3-ene-1,2-dione?
The InChIKey is LVUYTGMXNXWDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c1-3-21(4-2)16-12-10-15(11-13-16)18-17(19(22)20(18)23)14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3.
What are the key properties of 3-[4-(diethylamino)phenyl]-4-phenylcyclobut-3-ene-1,2-dione?
3-[4-(diethylamino)phenyl]-4-phenylcyclobut-3-ene-1,2-dione has a molecular weight of 305.38 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(diethylamino)phenyl]-4-phenylcyclobut-3-ene-1,2-dione is sourced from PubChem (CID 134977150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).