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

C19H24N2O2 — CID 22101298

IUPAC1-butyl-3-(4-methoxy-2,3-dihydro-1H-phenalen-2-yl)urea
SMILESCCCCNC(=O)NC1Cc2cccc3ccc(OC)c(c23)C1
InChIInChI=1S/C19H24N2O2/c1-3-4-10-20-19(22)21-15-11-14-7-5-6-13-8-9-17(23-2)16(12-15)18(13)14/h5-9,15H,3-4,10-12H2,1-2H3,(H2,20,21,22)
InChIKeyJQMPQZGIXRHPED-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.41
Rot. Bonds5

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

1-butyl-3-(4-methoxy-2,3-dihydro-1H-phenalen-2-yl)urea (PubChem CID 22101298) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-butyl-3-(4-methoxy-2,3-dihydro-1H-phenalen-2-yl)urea.

Molecular Properties

Compound Name1-butyl-3-(4-methoxy-2,3-dihydro-1H-phenalen-2-yl)urea
PubChem CID22101298
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-butyl-3-(4-methoxy-2,3-dihydro-1H-phenalen-2-yl)urea
SMILESCCCCNC(=O)NC1Cc2cccc3ccc(OC)c(c23)C1
InChIInChI=1S/C19H24N2O2/c1-3-4-10-20-19(22)21-15-11-14-7-5-6-13-8-9-17(23-2)16(12-15)18(13)14/h5-9,15H,3-4,10-12H2,1-2H3,(H2,20,21,22)
InChIKeyJQMPQZGIXRHPED-UHFFFAOYSA-N
XLogP3.41
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-(4-methoxy-2,3-dihydro-1H-phenalen-2-yl)urea
CID 22101310
1-cyclobutyl-3-(4-methoxy-2,3-dihydro-1H-phenalen-2-yl)urea
CID 22101252
N-(4-methoxy-2,3-dihydro-1H-phenalen-2-yl)acetamide
CID 10355010
4-methoxy-N-methyl-2,3-dihydro-1H-phenalene-2-carboxamide
CID 18466214
N-[[(1R)-8-methoxy-1,2-dihydroacenaphthylen-1-yl]methyl]butanamide
CID 10731701
N-[3-(4-methoxy-2,3-dihydro-1H-phenalen-1-yl)propyl]pentanamide
CID 18466087
1-(2,3-dihydro-1H-inden-2-yl)-3-(3-fluoropropyl)urea
CID 75522852
N-[(8-methoxy-1,2-dihydroacenaphthylen-1-yl)methyl]acetamide
CID 10562968
1-cyclopropyl-3-[2-(7-methoxy-8-prop-2-enylnaphthalen-1-yl)ethyl]urea
CID 54238918
3-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)propanoic acid
CID 114007977
N-[2-(8-methoxy-1,2-dihydroacenaphthylen-1-yl)ethyl]cyclopropanecarboxamide
CID 10637638
1-butyl-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513301

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(4-methoxy-2,3-dihydro-1H-phenalen-2-yl)urea?
The IUPAC name of 1-butyl-3-(4-methoxy-2,3-dihydro-1H-phenalen-2-yl)urea (CID 22101298) is 1-butyl-3-(4-methoxy-2,3-dihydro-1H-phenalen-2-yl)urea.
What is the SMILES notation for 1-butyl-3-(4-methoxy-2,3-dihydro-1H-phenalen-2-yl)urea?
The canonical SMILES for 1-butyl-3-(4-methoxy-2,3-dihydro-1H-phenalen-2-yl)urea is CCCCNC(=O)NC1Cc2cccc3ccc(OC)c(c23)C1.
What is the InChIKey of 1-butyl-3-(4-methoxy-2,3-dihydro-1H-phenalen-2-yl)urea?
The InChIKey is JQMPQZGIXRHPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-3-4-10-20-19(22)21-15-11-14-7-5-6-13-8-9-17(23-2)16(12-15)18(13)14/h5-9,15H,3-4,10-12H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-butyl-3-(4-methoxy-2,3-dihydro-1H-phenalen-2-yl)urea?
1-butyl-3-(4-methoxy-2,3-dihydro-1H-phenalen-2-yl)urea has a molecular weight of 312.41 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(4-methoxy-2,3-dihydro-1H-phenalen-2-yl)urea is sourced from PubChem (CID 22101298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).