1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(2-propan-2-ylphenyl)urea

C16H24N2O2 — CID 111976218

IUPAC1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(2-propan-2-ylphenyl)urea
SMILESCC(C)c1ccccc1NC(=O)NC(C)(CO)C1CC1
InChIInChI=1S/C16H24N2O2/c1-11(2)13-6-4-5-7-14(13)17-15(20)18-16(3,10-19)12-8-9-12/h4-7,11-12,19H,8-10H2,1-3H3,(H2,17,18,20)
InChIKeyHNUHMRBIHCQCCH-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.09
Rot. Bonds5

About 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(2-propan-2-ylphenyl)urea

1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(2-propan-2-ylphenyl)urea (PubChem CID 111976218) 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-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(2-propan-2-ylphenyl)urea
PubChem CID111976218
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(2-propan-2-ylphenyl)urea
SMILESCC(C)c1ccccc1NC(=O)NC(C)(CO)C1CC1
InChIInChI=1S/C16H24N2O2/c1-11(2)13-6-4-5-7-14(13)17-15(20)18-16(3,10-19)12-8-9-12/h4-7,11-12,19H,8-10H2,1-3H3,(H2,17,18,20)
InChIKeyHNUHMRBIHCQCCH-UHFFFAOYSA-N
XLogP3.09
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(2-propan-2-ylphenyl)urea?
The IUPAC name of 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(2-propan-2-ylphenyl)urea (CID 111976218) is 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(2-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(2-propan-2-ylphenyl)urea?
The canonical SMILES for 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(2-propan-2-ylphenyl)urea is CC(C)c1ccccc1NC(=O)NC(C)(CO)C1CC1.
What is the InChIKey of 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(2-propan-2-ylphenyl)urea?
The InChIKey is HNUHMRBIHCQCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11(2)13-6-4-5-7-14(13)17-15(20)18-16(3,10-19)12-8-9-12/h4-7,11-12,19H,8-10H2,1-3H3,(H2,17,18,20).
What are the key properties of 1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(2-propan-2-ylphenyl)urea?
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(2-propan-2-ylphenyl)urea has a molecular weight of 276.38 g/mol, XLogP of 3.09, 5 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-propan-2-ylphenyl)urea is sourced from PubChem (CID 111976218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).