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

C19H22N2O2 — CID 22101252

IUPAC1-cyclobutyl-3-(4-methoxy-2,3-dihydro-1H-phenalen-2-yl)urea
SMILESCOc1ccc2cccc3c2c1CC(NC(=O)NC1CCC1)C3
InChIInChI=1S/C19H22N2O2/c1-23-17-9-8-12-4-2-5-13-10-15(11-16(17)18(12)13)21-19(22)20-14-6-3-7-14/h2,4-5,8-9,14-15H,3,6-7,10-11H2,1H3,(H2,20,21,22)
InChIKeyPREVXSDIZDVYLM-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.17
Rot. Bonds3

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

1-cyclobutyl-3-(4-methoxy-2,3-dihydro-1H-phenalen-2-yl)urea (PubChem CID 22101252) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-cyclobutyl-3-(4-methoxy-2,3-dihydro-1H-phenalen-2-yl)urea.

Molecular Properties

Compound Name1-cyclobutyl-3-(4-methoxy-2,3-dihydro-1H-phenalen-2-yl)urea
PubChem CID22101252
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name1-cyclobutyl-3-(4-methoxy-2,3-dihydro-1H-phenalen-2-yl)urea
SMILESCOc1ccc2cccc3c2c1CC(NC(=O)NC1CCC1)C3
InChIInChI=1S/C19H22N2O2/c1-23-17-9-8-12-4-2-5-13-10-15(11-16(17)18(12)13)21-19(22)20-14-6-3-7-14/h2,4-5,8-9,14-15H,3,6-7,10-11H2,1H3,(H2,20,21,22)
InChIKeyPREVXSDIZDVYLM-UHFFFAOYSA-N
XLogP3.17
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methoxy-2,3-dihydro-1H-phenalen-2-yl)acetamide
CID 10355010
1-ethyl-3-(4-methoxy-2,3-dihydro-1H-phenalen-2-yl)urea
CID 22101310
1-butyl-3-(4-methoxy-2,3-dihydro-1H-phenalen-2-yl)urea
CID 22101298
4-methoxy-N-methyl-2,3-dihydro-1H-phenalene-2-carboxamide
CID 18466214
1-cyclobutyl-3-(2,3-dihydro-1H-inden-2-yl)urea
CID 104694678
1-[3-(methoxymethyl)cyclobutyl]-3-(1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)urea
CID 154789320
methyl (2R)-4-methoxy-2,3-dihydro-1H-indene-2-carboxylate
CID 86315719
1-cyclohexyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)urea
CID 115573941
N-[(8-methoxy-1,2-dihydroacenaphthylen-1-yl)methyl]acetamide
CID 10562968
2-bromo-N-(2,3-dihydro-1H-phenalen-2-yl)acetamide
CID 15292142
3-[(1-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)amino]cyclobutane-1-carboxylic acid
CID 166267662
N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
CID 67469984

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(4-methoxy-2,3-dihydro-1H-phenalen-2-yl)urea?
The IUPAC name of 1-cyclobutyl-3-(4-methoxy-2,3-dihydro-1H-phenalen-2-yl)urea (CID 22101252) is 1-cyclobutyl-3-(4-methoxy-2,3-dihydro-1H-phenalen-2-yl)urea.
What is the SMILES notation for 1-cyclobutyl-3-(4-methoxy-2,3-dihydro-1H-phenalen-2-yl)urea?
The canonical SMILES for 1-cyclobutyl-3-(4-methoxy-2,3-dihydro-1H-phenalen-2-yl)urea is COc1ccc2cccc3c2c1CC(NC(=O)NC1CCC1)C3.
What is the InChIKey of 1-cyclobutyl-3-(4-methoxy-2,3-dihydro-1H-phenalen-2-yl)urea?
The InChIKey is PREVXSDIZDVYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-23-17-9-8-12-4-2-5-13-10-15(11-16(17)18(12)13)21-19(22)20-14-6-3-7-14/h2,4-5,8-9,14-15H,3,6-7,10-11H2,1H3,(H2,20,21,22).
What are the key properties of 1-cyclobutyl-3-(4-methoxy-2,3-dihydro-1H-phenalen-2-yl)urea?
1-cyclobutyl-3-(4-methoxy-2,3-dihydro-1H-phenalen-2-yl)urea has a molecular weight of 310.40 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(4-methoxy-2,3-dihydro-1H-phenalen-2-yl)urea is sourced from PubChem (CID 22101252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).