1-[(4-cyclohexylphenyl)methyl]-3-methylurea

C15H22N2O — CID 115169108

IUPAC1-[(4-cyclohexylphenyl)methyl]-3-methylurea
SMILESCNC(=O)NCc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C15H22N2O/c1-16-15(18)17-11-12-7-9-14(10-8-12)13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H2,16,17,18)
InChIKeyAQAAWRDEIDPJSE-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.16
Rot. Bonds3

About 1-[(4-cyclohexylphenyl)methyl]-3-methylurea

1-[(4-cyclohexylphenyl)methyl]-3-methylurea (PubChem CID 115169108) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-[(4-cyclohexylphenyl)methyl]-3-methylurea.

Molecular Properties

Compound Name1-[(4-cyclohexylphenyl)methyl]-3-methylurea
PubChem CID115169108
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-[(4-cyclohexylphenyl)methyl]-3-methylurea
SMILESCNC(=O)NCc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C15H22N2O/c1-16-15(18)17-11-12-7-9-14(10-8-12)13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H2,16,17,18)
InChIKeyAQAAWRDEIDPJSE-UHFFFAOYSA-N
XLogP3.16
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-cyclopentylphenyl)methyl]acetamide
CID 66695215
methyl 2-(4-cycloheptylphenyl)acetate
CID 54417181
N-[(4-cyclopentylphenyl)methyl]hydroxylamine
CID 117282542
2-(4-cyclohexylphenyl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide
CID 44762851
2-[[3-[(4-cyclohexylphenyl)methylcarbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122015243
2-(4-cycloheptylphenyl)acetic acid
CID 21484425
4-cyclohexyl-N'-methylbenzohydrazide
CID 116846851
1-benzyl-3-methylurea;ethane
CID 90763782
N-[(4-cyclooctylphenyl)methyl]-2-[4-(hydroxymethyl)phenoxy]acetamide
CID 142212171
1-(4-cyclohexylphenyl)-2-(methylamino)ethanone
CID 82082215
2-(4-cyclohexylphenyl)-1-(methylamino)ethanol
CID 175264213
N-[4-[(4-cyclopropylphenyl)methylcarbamoylamino]phenyl]propanamide
CID 119047540

Frequently Asked Questions

What is the IUPAC name of 1-[(4-cyclohexylphenyl)methyl]-3-methylurea?
The IUPAC name of 1-[(4-cyclohexylphenyl)methyl]-3-methylurea (CID 115169108) is 1-[(4-cyclohexylphenyl)methyl]-3-methylurea.
What is the SMILES notation for 1-[(4-cyclohexylphenyl)methyl]-3-methylurea?
The canonical SMILES for 1-[(4-cyclohexylphenyl)methyl]-3-methylurea is CNC(=O)NCc1ccc(C2CCCCC2)cc1.
What is the InChIKey of 1-[(4-cyclohexylphenyl)methyl]-3-methylurea?
The InChIKey is AQAAWRDEIDPJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-16-15(18)17-11-12-7-9-14(10-8-12)13-5-3-2-4-6-13/h7-10,13H,2-6,11H2,1H3,(H2,16,17,18).
What are the key properties of 1-[(4-cyclohexylphenyl)methyl]-3-methylurea?
1-[(4-cyclohexylphenyl)methyl]-3-methylurea has a molecular weight of 246.35 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-cyclohexylphenyl)methyl]-3-methylurea is sourced from PubChem (CID 115169108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).