1-(1-hydroxy-1-phenylpropan-2-yl)-1,3-dimethylurea

C12H18N2O2 — CID 23264849

IUPAC1-(1-hydroxy-1-phenylpropan-2-yl)-1,3-dimethylurea
SMILESCNC(=O)N(C)C(C)C(O)c1ccccc1
InChIInChI=1S/C12H18N2O2/c1-9(14(3)12(16)13-2)11(15)10-7-5-4-6-8-10/h4-9,11,15H,1-3H3,(H,13,16)
InChIKeyBJHATONBBZNLFY-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.38
Rot. Bonds3

About 1-(1-hydroxy-1-phenylpropan-2-yl)-1,3-dimethylurea

1-(1-hydroxy-1-phenylpropan-2-yl)-1,3-dimethylurea (PubChem CID 23264849) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-(1-hydroxy-1-phenylpropan-2-yl)-1,3-dimethylurea.

Molecular Properties

Compound Name1-(1-hydroxy-1-phenylpropan-2-yl)-1,3-dimethylurea
PubChem CID23264849
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-(1-hydroxy-1-phenylpropan-2-yl)-1,3-dimethylurea
SMILESCNC(=O)N(C)C(C)C(O)c1ccccc1
InChIInChI=1S/C12H18N2O2/c1-9(14(3)12(16)13-2)11(15)10-7-5-4-6-8-10/h4-9,11,15H,1-3H3,(H,13,16)
InChIKeyBJHATONBBZNLFY-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide;N-[(2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide
CID 158962259
N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide
CID 11138684
2-amino-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide
CID 102065194
N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylprop-2-enamide
CID 11413337
(1R,2R)-2-[[(Z)-1-hydroxyprop-1-enyl]-methylamino]-1-phenylpropan-1-ol
CID 154709329
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-phenylacetamide
CID 54856748
3-[4-(4-fluorophenoxy)phenyl]-1-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-1-methylurea
CID 10949261
(2R)-2-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride
CID 163285620
(1S,2R)-2-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride
CID 3041454
(2R,3R)-3-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethylpentanamide
CID 100922135
N-(1-hydroxy-1-phenylpropan-2-yl)-2-methoxy-N-methylbenzamide
CID 54856631
(2S,3S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2,4,4-tetramethyl-3-phenylpentanamide
CID 102384841

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-1-phenylpropan-2-yl)-1,3-dimethylurea?
The IUPAC name of 1-(1-hydroxy-1-phenylpropan-2-yl)-1,3-dimethylurea (CID 23264849) is 1-(1-hydroxy-1-phenylpropan-2-yl)-1,3-dimethylurea.
What is the SMILES notation for 1-(1-hydroxy-1-phenylpropan-2-yl)-1,3-dimethylurea?
The canonical SMILES for 1-(1-hydroxy-1-phenylpropan-2-yl)-1,3-dimethylurea is CNC(=O)N(C)C(C)C(O)c1ccccc1.
What is the InChIKey of 1-(1-hydroxy-1-phenylpropan-2-yl)-1,3-dimethylurea?
The InChIKey is BJHATONBBZNLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(14(3)12(16)13-2)11(15)10-7-5-4-6-8-10/h4-9,11,15H,1-3H3,(H,13,16).
What are the key properties of 1-(1-hydroxy-1-phenylpropan-2-yl)-1,3-dimethylurea?
1-(1-hydroxy-1-phenylpropan-2-yl)-1,3-dimethylurea has a molecular weight of 222.29 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-1-phenylpropan-2-yl)-1,3-dimethylurea is sourced from PubChem (CID 23264849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).