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

C15H20N2O — CID 115617814

IUPAC1-cyclobutyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
SMILESO=C(NC1CCC1)NC1CCCc2ccccc21
InChIInChI=1S/C15H20N2O/c18-15(16-12-7-4-8-12)17-14-10-3-6-11-5-1-2-9-13(11)14/h1-2,5,9,12,14H,3-4,6-8,10H2,(H2,16,17,18)
InChIKeyYDMNKELVHPULET-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.92
Rot. Bonds2

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

1-cyclobutyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea (PubChem CID 115617814) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-cyclobutyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea.

Molecular Properties

Compound Name1-cyclobutyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
PubChem CID115617814
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-cyclobutyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
SMILESO=C(NC1CCC1)NC1CCCc2ccccc21
InChIInChI=1S/C15H20N2O/c18-15(16-12-7-4-8-12)17-14-10-3-6-11-5-1-2-9-13(11)14/h1-2,5,9,12,14H,3-4,6-8,10H2,(H2,16,17,18)
InChIKeyYDMNKELVHPULET-UHFFFAOYSA-N
XLogP2.92
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclobutyl-3-(2,3-dihydro-1H-inden-1-yl)urea
CID 113233184
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl fluoride
CID 90147743
1-(1-methylsulfonylpiperidin-3-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 47765775
1-(2-hydroxyethyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 21393473
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopropanecarboxamide
CID 7688429
1-benzamido-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 47023890
N-cyclopropyl-2-[methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]amino]acetamide
CID 9053146
1-(4-fluorophenyl)-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 26848239
1-(2-chlorophenyl)-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 841694
1-(4-fluorophenyl)-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 26848241
(2R)-2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)propanoic acid
CID 78988055
cis-(1R,2S)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124670671

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
The IUPAC name of 1-cyclobutyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea (CID 115617814) is 1-cyclobutyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea.
What is the SMILES notation for 1-cyclobutyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
The canonical SMILES for 1-cyclobutyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea is O=C(NC1CCC1)NC1CCCc2ccccc21.
What is the InChIKey of 1-cyclobutyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
The InChIKey is YDMNKELVHPULET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c18-15(16-12-7-4-8-12)17-14-10-3-6-11-5-1-2-9-13(11)14/h1-2,5,9,12,14H,3-4,6-8,10H2,(H2,16,17,18).
What are the key properties of 1-cyclobutyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
1-cyclobutyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea has a molecular weight of 244.34 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea is sourced from PubChem (CID 115617814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).