1-ethyl-3-(4-methoxy-2,3-dihydro-1H-phenalen-2-yl)urea

C17H20N2O2 — CID 22101310

IUPAC1-ethyl-3-(4-methoxy-2,3-dihydro-1H-phenalen-2-yl)urea
SMILESCCNC(=O)NC1Cc2cccc3ccc(OC)c(c23)C1
InChIInChI=1S/C17H20N2O2/c1-3-18-17(20)19-13-9-12-6-4-5-11-7-8-15(21-2)14(10-13)16(11)12/h4-8,13H,3,9-10H2,1-2H3,(H2,18,19,20)
InChIKeyQZKSMIXYUYTBSS-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.63
Rot. Bonds3

About 1-ethyl-3-(4-methoxy-2,3-dihydro-1H-phenalen-2-yl)urea

1-ethyl-3-(4-methoxy-2,3-dihydro-1H-phenalen-2-yl)urea (PubChem CID 22101310) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-ethyl-3-(4-methoxy-2,3-dihydro-1H-phenalen-2-yl)urea.

Molecular Properties

Compound Name1-ethyl-3-(4-methoxy-2,3-dihydro-1H-phenalen-2-yl)urea
PubChem CID22101310
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-ethyl-3-(4-methoxy-2,3-dihydro-1H-phenalen-2-yl)urea
SMILESCCNC(=O)NC1Cc2cccc3ccc(OC)c(c23)C1
InChIInChI=1S/C17H20N2O2/c1-3-18-17(20)19-13-9-12-6-4-5-11-7-8-15(21-2)14(10-13)16(11)12/h4-8,13H,3,9-10H2,1-2H3,(H2,18,19,20)
InChIKeyQZKSMIXYUYTBSS-UHFFFAOYSA-N
XLogP2.63
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(4-methoxy-2,3-dihydro-1H-phenalen-2-yl)urea?
The IUPAC name of 1-ethyl-3-(4-methoxy-2,3-dihydro-1H-phenalen-2-yl)urea (CID 22101310) is 1-ethyl-3-(4-methoxy-2,3-dihydro-1H-phenalen-2-yl)urea.
What is the SMILES notation for 1-ethyl-3-(4-methoxy-2,3-dihydro-1H-phenalen-2-yl)urea?
The canonical SMILES for 1-ethyl-3-(4-methoxy-2,3-dihydro-1H-phenalen-2-yl)urea is CCNC(=O)NC1Cc2cccc3ccc(OC)c(c23)C1.
What is the InChIKey of 1-ethyl-3-(4-methoxy-2,3-dihydro-1H-phenalen-2-yl)urea?
The InChIKey is QZKSMIXYUYTBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-3-18-17(20)19-13-9-12-6-4-5-11-7-8-15(21-2)14(10-13)16(11)12/h4-8,13H,3,9-10H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-ethyl-3-(4-methoxy-2,3-dihydro-1H-phenalen-2-yl)urea?
1-ethyl-3-(4-methoxy-2,3-dihydro-1H-phenalen-2-yl)urea has a molecular weight of 284.36 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(4-methoxy-2,3-dihydro-1H-phenalen-2-yl)urea is sourced from PubChem (CID 22101310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).