1-(cyclohexylmethyl)-3-[1-(4-ethylphenyl)ethyl]urea

C18H28N2O — CID 108902838

IUPAC1-(cyclohexylmethyl)-3-[1-(4-ethylphenyl)ethyl]urea
SMILESCCc1ccc(C(C)NC(=O)NCC2CCCCC2)cc1
InChIInChI=1S/C18H28N2O/c1-3-15-9-11-17(12-10-15)14(2)20-18(21)19-13-16-7-5-4-6-8-16/h9-12,14,16H,3-8,13H2,1-2H3,(H2,19,20,21)
InChIKeyXYMUFQVACULING-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.19
Rot. Bonds5

About 1-(cyclohexylmethyl)-3-[1-(4-ethylphenyl)ethyl]urea

1-(cyclohexylmethyl)-3-[1-(4-ethylphenyl)ethyl]urea (PubChem CID 108902838) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-3-[1-(4-ethylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-3-[1-(4-ethylphenyl)ethyl]urea
PubChem CID108902838
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name1-(cyclohexylmethyl)-3-[1-(4-ethylphenyl)ethyl]urea
SMILESCCc1ccc(C(C)NC(=O)NCC2CCCCC2)cc1
InChIInChI=1S/C18H28N2O/c1-3-15-9-11-17(12-10-15)14(2)20-18(21)19-13-16-7-5-4-6-8-16/h9-12,14,16H,3-8,13H2,1-2H3,(H2,19,20,21)
InChIKeyXYMUFQVACULING-UHFFFAOYSA-N
XLogP4.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopentyl-3-[1-(4-ethylphenyl)ethyl]urea
CID 47128258
1-[(1R)-1-(4-ethylphenyl)ethyl]-3-propylurea
CID 94828358
3-(cyclohexylcarbamoylamino)-N-[(1S)-1-(4-ethylphenyl)ethyl]propanamide
CID 25469562
3-(cyclohexylcarbamoylamino)-N-[(1R)-1-(4-ethylphenyl)ethyl]propanamide
CID 25469560
1-(cyclohexylmethyl)-3-[4-[1-(methylamino)ethyl]phenyl]urea
CID 61341492
2-[cycloheptyl(methyl)amino]-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 18291170
1-(cyclopentylmethyl)-3-propan-2-ylurea
CID 84521639
1-[1-(4-ethylphenyl)ethyl]-3-prop-2-enylurea
CID 127510643
1-(1-phenylethyl)-3-(piperidin-4-ylmethyl)urea;hydrochloride
CID 171393262
1-[(1S)-1-(4-ethylphenyl)ethyl]-3-(2-ethylsulfonylethyl)urea
CID 95568330
1-tert-butyl-3-[1-(4-ethylphenyl)ethyl]urea
CID 108896878
1-[(4-ethoxyphenoxy)methyl]-3-[1-(4-ethylphenyl)ethyl]urea
CID 108890686

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-3-[1-(4-ethylphenyl)ethyl]urea?
The IUPAC name of 1-(cyclohexylmethyl)-3-[1-(4-ethylphenyl)ethyl]urea (CID 108902838) is 1-(cyclohexylmethyl)-3-[1-(4-ethylphenyl)ethyl]urea.
What is the SMILES notation for 1-(cyclohexylmethyl)-3-[1-(4-ethylphenyl)ethyl]urea?
The canonical SMILES for 1-(cyclohexylmethyl)-3-[1-(4-ethylphenyl)ethyl]urea is CCc1ccc(C(C)NC(=O)NCC2CCCCC2)cc1.
What is the InChIKey of 1-(cyclohexylmethyl)-3-[1-(4-ethylphenyl)ethyl]urea?
The InChIKey is XYMUFQVACULING-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-3-15-9-11-17(12-10-15)14(2)20-18(21)19-13-16-7-5-4-6-8-16/h9-12,14,16H,3-8,13H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-(cyclohexylmethyl)-3-[1-(4-ethylphenyl)ethyl]urea?
1-(cyclohexylmethyl)-3-[1-(4-ethylphenyl)ethyl]urea has a molecular weight of 288.44 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-3-[1-(4-ethylphenyl)ethyl]urea is sourced from PubChem (CID 108902838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).