1-[(4-ethoxyphenyl)methyl]-3-(2-methylcyclohexyl)urea

C17H26N2O2 — CID 108884452

IUPAC1-[(4-ethoxyphenyl)methyl]-3-(2-methylcyclohexyl)urea
SMILESCCOc1ccc(CNC(=O)NC2CCCCC2C)cc1
InChIInChI=1S/C17H26N2O2/c1-3-21-15-10-8-14(9-11-15)12-18-17(20)19-16-7-5-4-6-13(16)2/h8-11,13,16H,3-7,12H2,1-2H3,(H2,18,19,20)
InChIKeyRJVYGKNJHYHWQK-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.46
Rot. Bonds5

About 1-[(4-ethoxyphenyl)methyl]-3-(2-methylcyclohexyl)urea

1-[(4-ethoxyphenyl)methyl]-3-(2-methylcyclohexyl)urea (PubChem CID 108884452) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[(4-ethoxyphenyl)methyl]-3-(2-methylcyclohexyl)urea.

Molecular Properties

Compound Name1-[(4-ethoxyphenyl)methyl]-3-(2-methylcyclohexyl)urea
PubChem CID108884452
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[(4-ethoxyphenyl)methyl]-3-(2-methylcyclohexyl)urea
SMILESCCOc1ccc(CNC(=O)NC2CCCCC2C)cc1
InChIInChI=1S/C17H26N2O2/c1-3-21-15-10-8-14(9-11-15)12-18-17(20)19-16-7-5-4-6-13(16)2/h8-11,13,16H,3-7,12H2,1-2H3,(H2,18,19,20)
InChIKeyRJVYGKNJHYHWQK-UHFFFAOYSA-N
XLogP3.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclododecyl-3-[(4-ethoxyphenyl)methyl]urea
CID 108884395
1-[(4-chlorophenyl)methyl]-3-(2-methylcyclohexyl)urea
CID 47133576
1-[(4-ethoxyphenyl)methyl]-3-ethylurea
CID 108884423
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 4-ethoxybenzoate
CID 2441435
[2-[(2-methylcyclohexyl)carbamoylamino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 46791737
1-cyclohexyl-3-[(4-methoxyphenyl)methyl]urea
CID 854988
1-(4-ethoxyphenyl)-3-[(1R,2S)-2-methylcyclohexyl]thiourea
CID 7941815
N,N'-bis[(4-ethoxyphenyl)methyl]oxamide
CID 125144939
1-ethyl-3-(2-methylcyclohexyl)urea
CID 112682943
[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate
CID 46826467
[(2R)-1-[[(1S,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate
CID 8915177
1-[(4-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)urea
CID 108884480

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethoxyphenyl)methyl]-3-(2-methylcyclohexyl)urea?
The IUPAC name of 1-[(4-ethoxyphenyl)methyl]-3-(2-methylcyclohexyl)urea (CID 108884452) is 1-[(4-ethoxyphenyl)methyl]-3-(2-methylcyclohexyl)urea.
What is the SMILES notation for 1-[(4-ethoxyphenyl)methyl]-3-(2-methylcyclohexyl)urea?
The canonical SMILES for 1-[(4-ethoxyphenyl)methyl]-3-(2-methylcyclohexyl)urea is CCOc1ccc(CNC(=O)NC2CCCCC2C)cc1.
What is the InChIKey of 1-[(4-ethoxyphenyl)methyl]-3-(2-methylcyclohexyl)urea?
The InChIKey is RJVYGKNJHYHWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-21-15-10-8-14(9-11-15)12-18-17(20)19-16-7-5-4-6-13(16)2/h8-11,13,16H,3-7,12H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-[(4-ethoxyphenyl)methyl]-3-(2-methylcyclohexyl)urea?
1-[(4-ethoxyphenyl)methyl]-3-(2-methylcyclohexyl)urea has a molecular weight of 290.41 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethoxyphenyl)methyl]-3-(2-methylcyclohexyl)urea is sourced from PubChem (CID 108884452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).