1-(3-cyanophenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea

C12H15N3O2 — CID 43501248

IUPAC1-(3-cyanophenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea
SMILESCC(C)(CO)NC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C12H15N3O2/c1-12(2,8-16)15-11(17)14-10-5-3-4-9(6-10)7-13/h3-6,16H,8H2,1-2H3,(H2,14,15,17)
InChIKeyDQVOWUVMMHPWAJ-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.45
Rot. Bonds3

About 1-(3-cyanophenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea

1-(3-cyanophenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea (PubChem CID 43501248) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-(3-cyanophenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea.

Molecular Properties

Compound Name1-(3-cyanophenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea
PubChem CID43501248
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name1-(3-cyanophenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea
SMILESCC(C)(CO)NC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C12H15N3O2/c1-12(2,8-16)15-11(17)14-10-5-3-4-9(6-10)7-13/h3-6,16H,8H2,1-2H3,(H2,14,15,17)
InChIKeyDQVOWUVMMHPWAJ-UHFFFAOYSA-N
XLogP1.45
TPSA85.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethynylphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea
CID 110894493
3-[(3-cyanophenyl)carbamoylamino]-2,2,3-trimethylbutanoic acid
CID 65266203
1-(3-cyanophenyl)-3-[3-[(3-cyanophenyl)carbamoylamino]phenyl]urea
CID 11101346
N-(3-cyanophenyl)-3,3-dimethylbutanamide
CID 803129
N,N'-bis(3-cyanophenyl)-2,2-dimethylpropanediamide
CID 108970159
1-(3-cyanophenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 79023685
N-tert-butyl-2-[(3-cyanophenyl)carbamoylamino]propanamide
CID 47075829
1-(3-cyanophenyl)-3-(3-hydroxypropyl)urea
CID 43428235
1-(3-cyanophenyl)-3-[3-(methylaminomethyl)phenyl]urea
CID 43602485
2-[(3-cyanophenyl)carbamoylamino]-2-cyclopropylbutanoic acid
CID 139384580
3-(3-cyanoanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 82820785
1-butan-2-yl-3-(3-cyanophenyl)urea
CID 42928067

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanophenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea?
The IUPAC name of 1-(3-cyanophenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea (CID 43501248) is 1-(3-cyanophenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea.
What is the SMILES notation for 1-(3-cyanophenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea?
The canonical SMILES for 1-(3-cyanophenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea is CC(C)(CO)NC(=O)Nc1cccc(C#N)c1.
What is the InChIKey of 1-(3-cyanophenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea?
The InChIKey is DQVOWUVMMHPWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-12(2,8-16)15-11(17)14-10-5-3-4-9(6-10)7-13/h3-6,16H,8H2,1-2H3,(H2,14,15,17).
What are the key properties of 1-(3-cyanophenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea?
1-(3-cyanophenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea has a molecular weight of 233.27 g/mol, XLogP of 1.45, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyanophenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea is sourced from PubChem (CID 43501248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).