1-(1-cyclobutylethyl)-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]urea

C16H30N2O2 — CID 109499933

IUPAC1-(1-cyclobutylethyl)-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]urea
SMILESCC(NC(=O)NCC1(CCO)CCCCC1)C1CCC1
InChIInChI=1S/C16H30N2O2/c1-13(14-6-5-7-14)18-15(20)17-12-16(10-11-19)8-3-2-4-9-16/h13-14,19H,2-12H2,1H3,(H2,17,18,20)
InChIKeySKCKRGWRNSJXOH-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.81
Rot. Bonds6

About 1-(1-cyclobutylethyl)-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]urea

1-(1-cyclobutylethyl)-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]urea (PubChem CID 109499933) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-(1-cyclobutylethyl)-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]urea.

Molecular Properties

Compound Name1-(1-cyclobutylethyl)-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]urea
PubChem CID109499933
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name1-(1-cyclobutylethyl)-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]urea
SMILESCC(NC(=O)NCC1(CCO)CCCCC1)C1CCC1
InChIInChI=1S/C16H30N2O2/c1-13(14-6-5-7-14)18-15(20)17-12-16(10-11-19)8-3-2-4-9-16/h13-14,19H,2-12H2,1H3,(H2,17,18,20)
InChIKeySKCKRGWRNSJXOH-UHFFFAOYSA-N
XLogP2.81
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-cyclohexylethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111619002
2-[1-[(1-cyclopentylethylamino)methyl]cyclobutyl]ethanol
CID 115894754
1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-propan-2-ylurea
CID 115362818
1-(1-cyclohexylethyl)-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111507119
1-(1-cyclobutylethyl)-3-(2-ethyl-2-hydroxybutyl)urea
CID 109499928
1-propan-2-yl-3-[(1-propylcyclopropyl)methyl]urea
CID 103761309
[1-[(1-cyclopentylethylamino)methyl]cyclohexyl]methanol
CID 81419658
2-[1-[(1-cyclobutylpropan-2-ylamino)methyl]cyclobutyl]ethanol
CID 115894748
N-[[1-(2-hydroxyethyl)cyclopentyl]methyl]-2-methyl-3-(methylamino)propanamide
CID 119817819
1-(1-cyclohexylethyl)-3-(3-hydroxybutyl)urea
CID 111507132
2-cyclopropyl-2-[(1-ethylcyclopentyl)methylcarbamoylamino]acetic acid
CID 114126135
2-[1-(1-cyclohexylethylcarbamoylamino)cyclopentyl]acetic acid
CID 64700515

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclobutylethyl)-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]urea?
The IUPAC name of 1-(1-cyclobutylethyl)-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]urea (CID 109499933) is 1-(1-cyclobutylethyl)-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]urea.
What is the SMILES notation for 1-(1-cyclobutylethyl)-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]urea?
The canonical SMILES for 1-(1-cyclobutylethyl)-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]urea is CC(NC(=O)NCC1(CCO)CCCCC1)C1CCC1.
What is the InChIKey of 1-(1-cyclobutylethyl)-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]urea?
The InChIKey is SKCKRGWRNSJXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-13(14-6-5-7-14)18-15(20)17-12-16(10-11-19)8-3-2-4-9-16/h13-14,19H,2-12H2,1H3,(H2,17,18,20).
What are the key properties of 1-(1-cyclobutylethyl)-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]urea?
1-(1-cyclobutylethyl)-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]urea has a molecular weight of 282.43 g/mol, XLogP of 2.81, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclobutylethyl)-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]urea is sourced from PubChem (CID 109499933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).