1-(2,5-dimethylphenyl)-3-[3-(4-methoxyphenyl)cyclohexyl]urea

C22H28N2O2 — CID 168974099

IUPAC1-(2,5-dimethylphenyl)-3-[3-(4-methoxyphenyl)cyclohexyl]urea
SMILESCOc1ccc(C2CCCC(NC(=O)Nc3cc(C)ccc3C)C2)cc1
InChIInChI=1S/C22H28N2O2/c1-15-7-8-16(2)21(13-15)24-22(25)23-19-6-4-5-18(14-19)17-9-11-20(26-3)12-10-17/h7-13,18-19H,4-6,14H2,1-3H3,(H2,23,24,25)
InChIKeyRMDOBGNJOLGOIX-UHFFFAOYSA-N
MW352.48 g/mol
LogP5.16
Rot. Bonds4

About 1-(2,5-dimethylphenyl)-3-[3-(4-methoxyphenyl)cyclohexyl]urea

1-(2,5-dimethylphenyl)-3-[3-(4-methoxyphenyl)cyclohexyl]urea (PubChem CID 168974099) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-3-[3-(4-methoxyphenyl)cyclohexyl]urea.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-3-[3-(4-methoxyphenyl)cyclohexyl]urea
PubChem CID168974099
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name1-(2,5-dimethylphenyl)-3-[3-(4-methoxyphenyl)cyclohexyl]urea
SMILESCOc1ccc(C2CCCC(NC(=O)Nc3cc(C)ccc3C)C2)cc1
InChIInChI=1S/C22H28N2O2/c1-15-7-8-16(2)21(13-15)24-22(25)23-19-6-4-5-18(14-19)17-9-11-20(26-3)12-10-17/h7-13,18-19H,4-6,14H2,1-3H3,(H2,23,24,25)
InChIKeyRMDOBGNJOLGOIX-UHFFFAOYSA-N
XLogP5.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.48
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylphenyl)-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108990551
1-cyclobutyl-3-(2-methyl-5-prop-1-en-2-ylphenyl)urea
CID 143698611
methyl (2S,4R)-4-[(2,5-dimethylphenyl)carbamoylamino]-1-methylpyrrolidine-2-carboxylate
CID 50976126
tert-butyl N-[(2S)-1-[[3-(4-methoxyphenyl)cyclohexyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 15765445
1-(2,5-dimethylphenyl)-3-(2-hydroxycyclohexyl)urea
CID 75948752
1-(2,3-dihydro-1H-inden-2-yl)-3-(2,5-dimethylphenyl)urea
CID 23795651
2-(cyclobutylcarbamoylamino)-5-methoxybenzoic acid
CID 115412235
3-[(4-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 63043293
3-[(2-fluoro-5-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 63042823
4-methyl-3-[(3-methylcyclohexyl)carbamoylamino]benzoic acid
CID 61198764
cis-(1R,3S)-3-[(2-methoxy-5-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106324088
N-cyclohexyl-3-[(5-methoxy-2-methylphenyl)carbamoylamino]propanamide
CID 72894420

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-3-[3-(4-methoxyphenyl)cyclohexyl]urea?
The IUPAC name of 1-(2,5-dimethylphenyl)-3-[3-(4-methoxyphenyl)cyclohexyl]urea (CID 168974099) is 1-(2,5-dimethylphenyl)-3-[3-(4-methoxyphenyl)cyclohexyl]urea.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-3-[3-(4-methoxyphenyl)cyclohexyl]urea?
The canonical SMILES for 1-(2,5-dimethylphenyl)-3-[3-(4-methoxyphenyl)cyclohexyl]urea is COc1ccc(C2CCCC(NC(=O)Nc3cc(C)ccc3C)C2)cc1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-3-[3-(4-methoxyphenyl)cyclohexyl]urea?
The InChIKey is RMDOBGNJOLGOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-15-7-8-16(2)21(13-15)24-22(25)23-19-6-4-5-18(14-19)17-9-11-20(26-3)12-10-17/h7-13,18-19H,4-6,14H2,1-3H3,(H2,23,24,25).
What are the key properties of 1-(2,5-dimethylphenyl)-3-[3-(4-methoxyphenyl)cyclohexyl]urea?
1-(2,5-dimethylphenyl)-3-[3-(4-methoxyphenyl)cyclohexyl]urea has a molecular weight of 352.48 g/mol, XLogP of 5.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-3-[3-(4-methoxyphenyl)cyclohexyl]urea is sourced from PubChem (CID 168974099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).