1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(2,4,6-trimethylphenyl)urea

C16H24N2O2 — CID 111976204

IUPAC1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(2,4,6-trimethylphenyl)urea
SMILESCc1cc(C)c(NC(=O)NC(C)(CO)C2CC2)c(C)c1
InChIInChI=1S/C16H24N2O2/c1-10-7-11(2)14(12(3)8-10)17-15(20)18-16(4,9-19)13-5-6-13/h7-8,13,19H,5-6,9H2,1-4H3,(H2,17,18,20)
InChIKeyKRHLKWYQFGZHSA-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.89
Rot. Bonds4

About 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(2,4,6-trimethylphenyl)urea

1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(2,4,6-trimethylphenyl)urea (PubChem CID 111976204) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(2,4,6-trimethylphenyl)urea.

Molecular Properties

Compound Name1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(2,4,6-trimethylphenyl)urea
PubChem CID111976204
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(2,4,6-trimethylphenyl)urea
SMILESCc1cc(C)c(NC(=O)NC(C)(CO)C2CC2)c(C)c1
InChIInChI=1S/C16H24N2O2/c1-10-7-11(2)14(12(3)8-10)17-15(20)18-16(4,9-19)13-5-6-13/h7-8,13,19H,5-6,9H2,1-4H3,(H2,17,18,20)
InChIKeyKRHLKWYQFGZHSA-UHFFFAOYSA-N
XLogP2.89
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2,6-difluorophenyl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea
CID 111976434
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(4-fluorophenyl)urea
CID 111976036
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(2-ethoxy-4-methylphenyl)urea
CID 111976318
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(4-ethoxy-2-methylphenyl)urea
CID 111976325
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(3-fluorophenyl)urea
CID 111976013
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea
CID 111976377
1-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-(3-methyl-4-pyridinyl)urea
CID 138042025
1-(2-cyclohexylethyl)-3-(2,4,6-trimethylphenyl)urea
CID 108888511
N'-(2-cyclopropyl-1-hydroxypropan-2-yl)-N-(4-methylphenyl)oxamide
CID 111975992
1-[2-chloro-4-(trifluoromethyl)phenyl]-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea
CID 111976400
1-(4-bromo-2,6-dimethylphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea
CID 110894509
1-(2-benzylphenyl)-3-(2-cyclopropyl-1-hydroxypropan-2-yl)urea
CID 111976246

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(2,4,6-trimethylphenyl)urea?
The IUPAC name of 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(2,4,6-trimethylphenyl)urea (CID 111976204) is 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(2,4,6-trimethylphenyl)urea.
What is the SMILES notation for 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(2,4,6-trimethylphenyl)urea?
The canonical SMILES for 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(2,4,6-trimethylphenyl)urea is Cc1cc(C)c(NC(=O)NC(C)(CO)C2CC2)c(C)c1.
What is the InChIKey of 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(2,4,6-trimethylphenyl)urea?
The InChIKey is KRHLKWYQFGZHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-10-7-11(2)14(12(3)8-10)17-15(20)18-16(4,9-19)13-5-6-13/h7-8,13,19H,5-6,9H2,1-4H3,(H2,17,18,20).
What are the key properties of 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(2,4,6-trimethylphenyl)urea?
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(2,4,6-trimethylphenyl)urea has a molecular weight of 276.38 g/mol, XLogP of 2.89, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(2,4,6-trimethylphenyl)urea is sourced from PubChem (CID 111976204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).