3-[4-(1-hydroxypropan-2-yl)phenyl]-1,1-dimethylurea

C12H18N2O2 — CID 71347980

IUPAC3-[4-(1-hydroxypropan-2-yl)phenyl]-1,1-dimethylurea
SMILESCC(CO)c1ccc(NC(=O)N(C)C)cc1
InChIInChI=1S/C12H18N2O2/c1-9(8-15)10-4-6-11(7-5-10)13-12(16)14(2)3/h4-7,9,15H,8H2,1-3H3,(H,13,16)
InChIKeyMPUWAWYJXIJYDM-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.88
Rot. Bonds3

About 3-[4-(1-hydroxypropan-2-yl)phenyl]-1,1-dimethylurea

3-[4-(1-hydroxypropan-2-yl)phenyl]-1,1-dimethylurea (PubChem CID 71347980) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-[4-(1-hydroxypropan-2-yl)phenyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[4-(1-hydroxypropan-2-yl)phenyl]-1,1-dimethylurea
PubChem CID71347980
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-[4-(1-hydroxypropan-2-yl)phenyl]-1,1-dimethylurea
SMILESCC(CO)c1ccc(NC(=O)N(C)C)cc1
InChIInChI=1S/C12H18N2O2/c1-9(8-15)10-4-6-11(7-5-10)13-12(16)14(2)3/h4-7,9,15H,8H2,1-3H3,(H,13,16)
InChIKeyMPUWAWYJXIJYDM-UHFFFAOYSA-N
XLogP1.88
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-hydroxypropan-2-yl)phenyl]-1,1-dimethylurea?
The IUPAC name of 3-[4-(1-hydroxypropan-2-yl)phenyl]-1,1-dimethylurea (CID 71347980) is 3-[4-(1-hydroxypropan-2-yl)phenyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[4-(1-hydroxypropan-2-yl)phenyl]-1,1-dimethylurea?
The canonical SMILES for 3-[4-(1-hydroxypropan-2-yl)phenyl]-1,1-dimethylurea is CC(CO)c1ccc(NC(=O)N(C)C)cc1.
What is the InChIKey of 3-[4-(1-hydroxypropan-2-yl)phenyl]-1,1-dimethylurea?
The InChIKey is MPUWAWYJXIJYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(8-15)10-4-6-11(7-5-10)13-12(16)14(2)3/h4-7,9,15H,8H2,1-3H3,(H,13,16).
What are the key properties of 3-[4-(1-hydroxypropan-2-yl)phenyl]-1,1-dimethylurea?
3-[4-(1-hydroxypropan-2-yl)phenyl]-1,1-dimethylurea has a molecular weight of 222.29 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-hydroxypropan-2-yl)phenyl]-1,1-dimethylurea is sourced from PubChem (CID 71347980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).