1-[(4-cyanophenyl)methyl]-3-[(3-cyclohexyloxyphenyl)methyl]urea

C22H25N3O2 — CID 86943146

IUPAC1-[(4-cyanophenyl)methyl]-3-[(3-cyclohexyloxyphenyl)methyl]urea
SMILESN#Cc1ccc(CNC(=O)NCc2cccc(OC3CCCCC3)c2)cc1
InChIInChI=1S/C22H25N3O2/c23-14-17-9-11-18(12-10-17)15-24-22(26)25-16-19-5-4-8-21(13-19)27-20-6-2-1-3-7-20/h4-5,8-13,20H,1-3,6-7,15-16H2,(H2,24,25,26)
InChIKeyRLMMIMIIUNBANT-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.27
Rot. Bonds6

About 1-[(4-cyanophenyl)methyl]-3-[(3-cyclohexyloxyphenyl)methyl]urea

1-[(4-cyanophenyl)methyl]-3-[(3-cyclohexyloxyphenyl)methyl]urea (PubChem CID 86943146) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-[(4-cyanophenyl)methyl]-3-[(3-cyclohexyloxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[(4-cyanophenyl)methyl]-3-[(3-cyclohexyloxyphenyl)methyl]urea
PubChem CID86943146
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name1-[(4-cyanophenyl)methyl]-3-[(3-cyclohexyloxyphenyl)methyl]urea
SMILESN#Cc1ccc(CNC(=O)NCc2cccc(OC3CCCCC3)c2)cc1
InChIInChI=1S/C22H25N3O2/c23-14-17-9-11-18(12-10-17)15-24-22(26)25-16-19-5-4-8-21(13-19)27-20-6-2-1-3-7-20/h4-5,8-13,20H,1-3,6-7,15-16H2,(H2,24,25,26)
InChIKeyRLMMIMIIUNBANT-UHFFFAOYSA-N
XLogP4.27
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-cyclohexyloxyphenyl)methyl]cyclopentanecarboxamide
CID 86941906
1-[(3-cyclohexyloxyphenyl)methyl]-3-(2-hydroxycyclohexyl)urea
CID 86943887
1-(1-benzofuran-6-ylmethyl)-3-[(3-cyclopentyloxyphenyl)methyl]urea
CID 166213239
1-[(3-cyclohexyloxyphenyl)methyl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]urea
CID 71990119
N-[(3-cyclohexyloxyphenyl)methyl]-4-ethylpiperazine-1-carboxamide
CID 86943869
1-[(3-cyanophenyl)methyl]-3-cyclohexylurea
CID 47216904
N-[(3-cyclohexyloxyphenyl)methyl]-4-phenyloxane-4-carboxamide
CID 86941870
N-[(3-cycloheptyloxyphenyl)methyl]cyclopropanamine
CID 82927729
4-(5-amino-4-cyanopyrazol-1-yl)-N-[(3-cyclohexyloxyphenyl)methyl]benzamide
CID 86942756
N-[(3-cyclohexyloxyphenyl)methyl]-2-thiophen-2-ylacetamide
CID 86941859
N-[(3-cyclohexyloxyphenyl)methyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide
CID 86941957
1-[(3-cyclohexyloxyphenyl)methyl]-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea
CID 86943213

Frequently Asked Questions

What is the IUPAC name of 1-[(4-cyanophenyl)methyl]-3-[(3-cyclohexyloxyphenyl)methyl]urea?
The IUPAC name of 1-[(4-cyanophenyl)methyl]-3-[(3-cyclohexyloxyphenyl)methyl]urea (CID 86943146) is 1-[(4-cyanophenyl)methyl]-3-[(3-cyclohexyloxyphenyl)methyl]urea.
What is the SMILES notation for 1-[(4-cyanophenyl)methyl]-3-[(3-cyclohexyloxyphenyl)methyl]urea?
The canonical SMILES for 1-[(4-cyanophenyl)methyl]-3-[(3-cyclohexyloxyphenyl)methyl]urea is N#Cc1ccc(CNC(=O)NCc2cccc(OC3CCCCC3)c2)cc1.
What is the InChIKey of 1-[(4-cyanophenyl)methyl]-3-[(3-cyclohexyloxyphenyl)methyl]urea?
The InChIKey is RLMMIMIIUNBANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c23-14-17-9-11-18(12-10-17)15-24-22(26)25-16-19-5-4-8-21(13-19)27-20-6-2-1-3-7-20/h4-5,8-13,20H,1-3,6-7,15-16H2,(H2,24,25,26).
What are the key properties of 1-[(4-cyanophenyl)methyl]-3-[(3-cyclohexyloxyphenyl)methyl]urea?
1-[(4-cyanophenyl)methyl]-3-[(3-cyclohexyloxyphenyl)methyl]urea has a molecular weight of 363.46 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-cyanophenyl)methyl]-3-[(3-cyclohexyloxyphenyl)methyl]urea is sourced from PubChem (CID 86943146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).