1-(3-methylphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea

C18H20N2O — CID 17282138

IUPAC1-(3-methylphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
SMILESCc1cccc(NC(=O)NC2CCCc3ccccc32)c1
InChIInChI=1S/C18H20N2O/c1-13-6-4-9-15(12-13)19-18(21)20-17-11-5-8-14-7-2-3-10-16(14)17/h2-4,6-7,9-10,12,17H,5,8,11H2,1H3,(H2,19,20,21)
InChIKeyCMNHXYAZDZPGGI-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.19
Rot. Bonds2

About 1-(3-methylphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea

1-(3-methylphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea (PubChem CID 17282138) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(3-methylphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea.

Molecular Properties

Compound Name1-(3-methylphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
PubChem CID17282138
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name1-(3-methylphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
SMILESCc1cccc(NC(=O)NC2CCCc3ccccc32)c1
InChIInChI=1S/C18H20N2O/c1-13-6-4-9-15(12-13)19-18(21)20-17-11-5-8-14-7-2-3-10-16(14)17/h2-4,6-7,9-10,12,17H,5,8,11H2,1H3,(H2,19,20,21)
InChIKeyCMNHXYAZDZPGGI-UHFFFAOYSA-N
XLogP4.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

Siduron
CID 16116
1-Benzyl-3-(1-naphthyl)urea
CID 668231
Urea, N,N''-1,5-naphthalenediylbis[N',N'-dimethyl-
CID 99645
Atglistatin
CID 71699712
1-Naphthylurea
CID 81387
1-(1-Naphthyl)-3-(P-tolyl)urea
CID 295006
1-Cyclohexyl-3-(P-tolyl)urea
CID 280350
1-Benzyl-1-methyl-3-phenylurea
CID 306455
1-(Naphthalen-2-yl)-3-phenylurea
CID 239526
Urea, 1-(1-naphthyl)-3-phenyl-
CID 239525
1-methyl-1H-perimidin-2(3H)-one
CID 715306
1-Cyclohexyl-3-naphthalen-1-ylurea
CID 830951

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
The IUPAC name of 1-(3-methylphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea (CID 17282138) is 1-(3-methylphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea.
What is the SMILES notation for 1-(3-methylphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
The canonical SMILES for 1-(3-methylphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea is Cc1cccc(NC(=O)NC2CCCc3ccccc32)c1.
What is the InChIKey of 1-(3-methylphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
The InChIKey is CMNHXYAZDZPGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-13-6-4-9-15(12-13)19-18(21)20-17-11-5-8-14-7-2-3-10-16(14)17/h2-4,6-7,9-10,12,17H,5,8,11H2,1H3,(H2,19,20,21).
What are the key properties of 1-(3-methylphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
1-(3-methylphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea has a molecular weight of 280.37 g/mol, XLogP of 4.19, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea is sourced from PubChem (CID 17282138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).