1-(4-cyanophenyl)-3-(3-hydroxy-2,2-dimethylcyclobutyl)urea

C14H17N3O2 — CID 114631440

IUPAC1-(4-cyanophenyl)-3-(3-hydroxy-2,2-dimethylcyclobutyl)urea
SMILESCC1(C)C(O)CC1NC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C14H17N3O2/c1-14(2)11(7-12(14)18)17-13(19)16-10-5-3-9(8-15)4-6-10/h3-6,11-12,18H,7H2,1-2H3,(H2,16,17,19)
InChIKeyQUEBQBLHFOFIEC-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.84
Rot. Bonds2

About 1-(4-cyanophenyl)-3-(3-hydroxy-2,2-dimethylcyclobutyl)urea

1-(4-cyanophenyl)-3-(3-hydroxy-2,2-dimethylcyclobutyl)urea (PubChem CID 114631440) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-3-(3-hydroxy-2,2-dimethylcyclobutyl)urea.

Molecular Properties

Compound Name1-(4-cyanophenyl)-3-(3-hydroxy-2,2-dimethylcyclobutyl)urea
PubChem CID114631440
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1-(4-cyanophenyl)-3-(3-hydroxy-2,2-dimethylcyclobutyl)urea
SMILESCC1(C)C(O)CC1NC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C14H17N3O2/c1-14(2)11(7-12(14)18)17-13(19)16-10-5-3-9(8-15)4-6-10/h3-6,11-12,18H,7H2,1-2H3,(H2,16,17,19)
InChIKeyQUEBQBLHFOFIEC-UHFFFAOYSA-N
XLogP1.84
TPSA85.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-cyanophenyl)-3-piperidin-4-ylurea
CID 43345800
4-[(4-cyanophenyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid
CID 79216941
1-(4-cyanophenyl)-3-[(3-hydroxycyclobutyl)methyl]urea
CID 66005873
1-(4-cyanophenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 60568438
trans-(1R,2R)-1-N,2-N-bis(4-cyanophenyl)cyclopropane-1,2-dicarboxamide
CID 124628395
2-[(3-hydroxy-2,2-dimethylcyclobutyl)carbamoylamino]thiophene-3-carboxylic acid
CID 114630339
1-(1-adamantylmethyl)-3-(4-cyanophenyl)urea
CID 108870350
1-(4-cyanophenyl)-3-(oxolan-2-yl)urea
CID 110706796
1-(4-cyanophenyl)-3-[(1S,5S)-9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 1466932
1-(4-cyanophenyl)-3-[(1S,5R)-9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 1466933
1-(4-cyanophenyl)-3-[(3R,4R)-1-cyclopropyl-4-methylpyrrolidin-3-yl]urea
CID 95975783
1-(4-cyanophenyl)-3-[(3R)-piperidin-3-yl]urea
CID 113436695

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-3-(3-hydroxy-2,2-dimethylcyclobutyl)urea?
The IUPAC name of 1-(4-cyanophenyl)-3-(3-hydroxy-2,2-dimethylcyclobutyl)urea (CID 114631440) is 1-(4-cyanophenyl)-3-(3-hydroxy-2,2-dimethylcyclobutyl)urea.
What is the SMILES notation for 1-(4-cyanophenyl)-3-(3-hydroxy-2,2-dimethylcyclobutyl)urea?
The canonical SMILES for 1-(4-cyanophenyl)-3-(3-hydroxy-2,2-dimethylcyclobutyl)urea is CC1(C)C(O)CC1NC(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of 1-(4-cyanophenyl)-3-(3-hydroxy-2,2-dimethylcyclobutyl)urea?
The InChIKey is QUEBQBLHFOFIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-14(2)11(7-12(14)18)17-13(19)16-10-5-3-9(8-15)4-6-10/h3-6,11-12,18H,7H2,1-2H3,(H2,16,17,19).
What are the key properties of 1-(4-cyanophenyl)-3-(3-hydroxy-2,2-dimethylcyclobutyl)urea?
1-(4-cyanophenyl)-3-(3-hydroxy-2,2-dimethylcyclobutyl)urea has a molecular weight of 259.31 g/mol, XLogP of 1.84, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-3-(3-hydroxy-2,2-dimethylcyclobutyl)urea is sourced from PubChem (CID 114631440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).