1-[4-(4-cyanophenoxy)cyclohexyl]-3-[2-(3-propan-2-ylphenyl)propan-2-yl]urea

C26H33N3O2 — CID 25184263

IUPAC1-[4-(4-cyanophenoxy)cyclohexyl]-3-[2-(3-propan-2-ylphenyl)propan-2-yl]urea
SMILESCC(C)c1cccc(C(C)(C)NC(=O)NC2CCC(Oc3ccc(C#N)cc3)CC2)c1
InChIInChI=1S/C26H33N3O2/c1-18(2)20-6-5-7-21(16-20)26(3,4)29-25(30)28-22-10-14-24(15-11-22)31-23-12-8-19(17-27)9-13-23/h5-9,12-13,16,18,22,24H,10-11,14-15H2,1-4H3,(H2,28,29,30)
InChIKeyUPRYCWLYYBZSHL-UHFFFAOYSA-N
MW419.57 g/mol
LogP5.61
Rot. Bonds6

About 1-[4-(4-cyanophenoxy)cyclohexyl]-3-[2-(3-propan-2-ylphenyl)propan-2-yl]urea

1-[4-(4-cyanophenoxy)cyclohexyl]-3-[2-(3-propan-2-ylphenyl)propan-2-yl]urea (PubChem CID 25184263) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is 1-[4-(4-cyanophenoxy)cyclohexyl]-3-[2-(3-propan-2-ylphenyl)propan-2-yl]urea.

Molecular Properties

Compound Name1-[4-(4-cyanophenoxy)cyclohexyl]-3-[2-(3-propan-2-ylphenyl)propan-2-yl]urea
PubChem CID25184263
Molecular FormulaC26H33N3O2
Molecular Weight419.57 g/mol
Exact Mass419.26
IUPAC Name1-[4-(4-cyanophenoxy)cyclohexyl]-3-[2-(3-propan-2-ylphenyl)propan-2-yl]urea
SMILESCC(C)c1cccc(C(C)(C)NC(=O)NC2CCC(Oc3ccc(C#N)cc3)CC2)c1
InChIInChI=1S/C26H33N3O2/c1-18(2)20-6-5-7-21(16-20)26(3,4)29-25(30)28-22-10-14-24(15-11-22)31-23-12-8-19(17-27)9-13-23/h5-9,12-13,16,18,22,24H,10-11,14-15H2,1-4H3,(H2,28,29,30)
InChIKeyUPRYCWLYYBZSHL-UHFFFAOYSA-N
XLogP5.61
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.57
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[4-(4-cyanophenoxy)cyclohexyl]-3-[2-(3-propan-2-ylphenyl)propan-2-yl]urea with MolForge

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Related Compounds

4-[2-(3-propan-2-ylphenyl)propan-2-ylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 25184207
1-cycloheptyl-3-(2-phenylpropan-2-yl)urea
CID 110469316
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 8636320
tert-butyl N-[4-(4-formylphenoxy)cyclohexyl]carbamate
CID 164574099
(3-cyclopropyloxyphenyl)-(4-propan-2-ylphenyl)methanone
CID 114521063
N-[4-(3-amino-2-cyanophenoxy)cyclohexyl]-2-methylpropanamide
CID 66745656
1-[(1S,3S)-3-[4-(1,1-difluoroethyl)phenoxy]cyclopentyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 156724550
1-[4-[4-(1,1-difluoroethoxy)phenoxy]cyclohexyl]-3-[3-(2,2,2-trifluoroethyl)phenyl]urea
CID 122660584
2-[1-(4-cyanophenyl)ethylamino]-N-cyclopropylpropanamide
CID 54936564
3-[(3-cyclopropyloxyphenyl)-hydroxymethyl]benzonitrile
CID 114520992
1-[(1S,2S)-2-hydroxycyclohexyl]-3-[2-[3-[2-[[(1R,2S)-2-hydroxycyclohexyl]carbamoylamino]propan-2-yl]phenyl]propan-2-yl]urea
CID 26791318
4-[2-[2-(3-propan-2-ylphenyl)propan-2-ylcarbamoylamino]ethyl]benzoic acid
CID 25184205

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-cyanophenoxy)cyclohexyl]-3-[2-(3-propan-2-ylphenyl)propan-2-yl]urea?
The IUPAC name of 1-[4-(4-cyanophenoxy)cyclohexyl]-3-[2-(3-propan-2-ylphenyl)propan-2-yl]urea (CID 25184263) is 1-[4-(4-cyanophenoxy)cyclohexyl]-3-[2-(3-propan-2-ylphenyl)propan-2-yl]urea.
What is the SMILES notation for 1-[4-(4-cyanophenoxy)cyclohexyl]-3-[2-(3-propan-2-ylphenyl)propan-2-yl]urea?
The canonical SMILES for 1-[4-(4-cyanophenoxy)cyclohexyl]-3-[2-(3-propan-2-ylphenyl)propan-2-yl]urea is CC(C)c1cccc(C(C)(C)NC(=O)NC2CCC(Oc3ccc(C#N)cc3)CC2)c1.
What is the InChIKey of 1-[4-(4-cyanophenoxy)cyclohexyl]-3-[2-(3-propan-2-ylphenyl)propan-2-yl]urea?
The InChIKey is UPRYCWLYYBZSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O2/c1-18(2)20-6-5-7-21(16-20)26(3,4)29-25(30)28-22-10-14-24(15-11-22)31-23-12-8-19(17-27)9-13-23/h5-9,12-13,16,18,22,24H,10-11,14-15H2,1-4H3,(H2,28,29,30).
What are the key properties of 1-[4-(4-cyanophenoxy)cyclohexyl]-3-[2-(3-propan-2-ylphenyl)propan-2-yl]urea?
1-[4-(4-cyanophenoxy)cyclohexyl]-3-[2-(3-propan-2-ylphenyl)propan-2-yl]urea has a molecular weight of 419.57 g/mol, XLogP of 5.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-cyanophenoxy)cyclohexyl]-3-[2-(3-propan-2-ylphenyl)propan-2-yl]urea is sourced from PubChem (CID 25184263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).