1-cyclohexyl-3-(9,10-dioxoanthracen-1-yl)urea

C21H20N2O3 — CID 5011815

IUPAC1-cyclohexyl-3-(9,10-dioxoanthracen-1-yl)urea
SMILESO=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)NC1CCCCC1
InChIInChI=1S/C21H20N2O3/c24-19-14-9-4-5-10-15(14)20(25)18-16(19)11-6-12-17(18)23-21(26)22-13-7-2-1-3-8-13/h4-6,9-13H,1-3,7-8H2,(H2,22,23,26)
InChIKeyKAAIBWXYIIYHCP-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.92
Rot. Bonds2

About 1-cyclohexyl-3-(9,10-dioxoanthracen-1-yl)urea

1-cyclohexyl-3-(9,10-dioxoanthracen-1-yl)urea (PubChem CID 5011815) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 1-cyclohexyl-3-(9,10-dioxoanthracen-1-yl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(9,10-dioxoanthracen-1-yl)urea
PubChem CID5011815
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name1-cyclohexyl-3-(9,10-dioxoanthracen-1-yl)urea
SMILESO=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)NC1CCCCC1
InChIInChI=1S/C21H20N2O3/c24-19-14-9-4-5-10-15(14)20(25)18-16(19)11-6-12-17(18)23-21(26)22-13-7-2-1-3-8-13/h4-6,9-13H,1-3,7-8H2,(H2,22,23,26)
InChIKeyKAAIBWXYIIYHCP-UHFFFAOYSA-N
XLogP3.92
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclohexylcarbamoylamino)phenyl]acetamide
CID 113093681
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1-(2-bromophenyl)-3-cycloheptylurea
CID 3671520
1-cyclobutyl-3-(2-phenylphenyl)urea
CID 115617882
1-cyclohexyl-3-(2-thiophen-2-ylphenyl)urea
CID 52546181
methyl N-(9,10-dioxoanthracen-1-yl)carbamate
CID 4161864
1-acetyl-N-(9,10-dioxoanthracen-1-yl)piperidine-4-carboxamide
CID 108792195
[1-[(9,10-dioxoanthracen-1-yl)amino]-1-oxopropan-2-yl] cyclobutanecarboxylate
CID 55372469
N-(9,10-dioxoanthracen-1-yl)-2-piperidin-1-ylacetamide
CID 3849711
N-(5-amino-9,10-dioxoanthracen-1-yl)cyclohexanecarboxamide
CID 154102442
N-(9,10-dioxoanthracen-1-yl)-9,10-dioxoanthracene-1-carboxamide
CID 3343697
1-cyclopropyl-3-(2-phenylphenyl)urea
CID 47195783

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(9,10-dioxoanthracen-1-yl)urea?
The IUPAC name of 1-cyclohexyl-3-(9,10-dioxoanthracen-1-yl)urea (CID 5011815) is 1-cyclohexyl-3-(9,10-dioxoanthracen-1-yl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(9,10-dioxoanthracen-1-yl)urea?
The canonical SMILES for 1-cyclohexyl-3-(9,10-dioxoanthracen-1-yl)urea is O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(9,10-dioxoanthracen-1-yl)urea?
The InChIKey is KAAIBWXYIIYHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c24-19-14-9-4-5-10-15(14)20(25)18-16(19)11-6-12-17(18)23-21(26)22-13-7-2-1-3-8-13/h4-6,9-13H,1-3,7-8H2,(H2,22,23,26).
What are the key properties of 1-cyclohexyl-3-(9,10-dioxoanthracen-1-yl)urea?
1-cyclohexyl-3-(9,10-dioxoanthracen-1-yl)urea has a molecular weight of 348.40 g/mol, XLogP of 3.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(9,10-dioxoanthracen-1-yl)urea is sourced from PubChem (CID 5011815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).