1-(2-ethylhexyl)-3-(4-hydroxycyclohexyl)urea

C15H30N2O2 — CID 75885262

IUPAC1-(2-ethylhexyl)-3-(4-hydroxycyclohexyl)urea
SMILESCCCCC(CC)CNC(=O)NC1CCC(O)CC1
InChIInChI=1S/C15H30N2O2/c1-3-5-6-12(4-2)11-16-15(19)17-13-7-9-14(18)10-8-13/h12-14,18H,3-11H2,1-2H3,(H2,16,17,19)
InChIKeyVBFYRPBIVJDIOK-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.81
Rot. Bonds7

About 1-(2-ethylhexyl)-3-(4-hydroxycyclohexyl)urea

1-(2-ethylhexyl)-3-(4-hydroxycyclohexyl)urea (PubChem CID 75885262) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-(2-ethylhexyl)-3-(4-hydroxycyclohexyl)urea.

Molecular Properties

Compound Name1-(2-ethylhexyl)-3-(4-hydroxycyclohexyl)urea
PubChem CID75885262
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name1-(2-ethylhexyl)-3-(4-hydroxycyclohexyl)urea
SMILESCCCCC(CC)CNC(=O)NC1CCC(O)CC1
InChIInChI=1S/C15H30N2O2/c1-3-5-6-12(4-2)11-16-15(19)17-13-7-9-14(18)10-8-13/h12-14,18H,3-11H2,1-2H3,(H2,16,17,19)
InChIKeyVBFYRPBIVJDIOK-UHFFFAOYSA-N
XLogP2.81
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylamino)-N-(2-ethylhexyl)acetamide
CID 54773137
N'-cyclododecyl-N-[(2S)-2-ethylhexyl]butanediamide
CID 7298055
1-(2-ethylhexyl)-3-propan-2-ylurea
CID 78858171
2-(2-ethylhexylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 107817457
N-(2-ethylhexyl)cyclopropanamine
CID 43163806
(3R)-N-[(2R)-2-ethylhexyl]-3-hydroxypiperidine-1-carboxamide
CID 97027498
N-(2-ethylhexyl)-3-hydroxypiperidine-1-carboxamide
CID 71943752
1-[(2R)-2-ethylhexyl]-3-prop-2-ynylurea
CID 97027505
3-(2-ethylhexylcarbamoylamino)-2-methylpropanoic acid
CID 107817398
2-(2-ethylhexylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120974196
3-[(cyclohexylcarbamoylamino)methyl]pentanoic acid
CID 81066653
N-(2-ethylhexyl)piperidine-4-carboxamide
CID 61249053

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylhexyl)-3-(4-hydroxycyclohexyl)urea?
The IUPAC name of 1-(2-ethylhexyl)-3-(4-hydroxycyclohexyl)urea (CID 75885262) is 1-(2-ethylhexyl)-3-(4-hydroxycyclohexyl)urea.
What is the SMILES notation for 1-(2-ethylhexyl)-3-(4-hydroxycyclohexyl)urea?
The canonical SMILES for 1-(2-ethylhexyl)-3-(4-hydroxycyclohexyl)urea is CCCCC(CC)CNC(=O)NC1CCC(O)CC1.
What is the InChIKey of 1-(2-ethylhexyl)-3-(4-hydroxycyclohexyl)urea?
The InChIKey is VBFYRPBIVJDIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-3-5-6-12(4-2)11-16-15(19)17-13-7-9-14(18)10-8-13/h12-14,18H,3-11H2,1-2H3,(H2,16,17,19).
What are the key properties of 1-(2-ethylhexyl)-3-(4-hydroxycyclohexyl)urea?
1-(2-ethylhexyl)-3-(4-hydroxycyclohexyl)urea has a molecular weight of 270.42 g/mol, XLogP of 2.81, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylhexyl)-3-(4-hydroxycyclohexyl)urea is sourced from PubChem (CID 75885262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).