1-(1-cyclohexylethyl)-3-(3-hydroxybutyl)urea

C13H26N2O2 — CID 111507132

IUPAC1-(1-cyclohexylethyl)-3-(3-hydroxybutyl)urea
SMILESCC(O)CCNC(=O)NC(C)C1CCCCC1
InChIInChI=1S/C13H26N2O2/c1-10(16)8-9-14-13(17)15-11(2)12-6-4-3-5-7-12/h10-12,16H,3-9H2,1-2H3,(H2,14,15,17)
InChIKeyLWUJWPVCQWKEGI-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.03
Rot. Bonds5

About 1-(1-cyclohexylethyl)-3-(3-hydroxybutyl)urea

1-(1-cyclohexylethyl)-3-(3-hydroxybutyl)urea (PubChem CID 111507132) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-(1-cyclohexylethyl)-3-(3-hydroxybutyl)urea.

Molecular Properties

Compound Name1-(1-cyclohexylethyl)-3-(3-hydroxybutyl)urea
PubChem CID111507132
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name1-(1-cyclohexylethyl)-3-(3-hydroxybutyl)urea
SMILESCC(O)CCNC(=O)NC(C)C1CCCCC1
InChIInChI=1S/C13H26N2O2/c1-10(16)8-9-14-13(17)15-11(2)12-6-4-3-5-7-12/h10-12,16H,3-9H2,1-2H3,(H2,14,15,17)
InChIKeyLWUJWPVCQWKEGI-UHFFFAOYSA-N
XLogP2.03
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-4-(1-cyclobutylethylcarbamoylamino)-2-hydroxybutanoic acid
CID 107841213
1-cyclopentyl-3-(3-hydroxybutyl)urea
CID 78964917
1-(dicyclopropylmethyl)-3-(3-hydroxybutyl)urea
CID 111337114
4-(1-cyclopropylethylcarbamoylamino)-2-methylbutanoic acid
CID 80540831
3-[[(1S)-1-cyclohexylethyl]carbamoylamino]-N-prop-2-ynylpropanamide
CID 97218985
3-(1-cyclopentylethylcarbamoylamino)-2-hydroxypropanoic acid
CID 66166167
2-[[(1S)-1-cyclohexylethyl]carbamoylamino]ethyl 2-methylprop-2-enoate
CID 101187737
1-(1-cyclohexylethyl)-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111507119
3-(1-cyclohexylethylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid
CID 66175537
1-(1-cyclohexylethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111619002
1-[cyclobutyl-(4-fluorophenyl)methyl]-3-(3-hydroxybutyl)urea
CID 111337411
3-(tert-butylamino)-N-(1-cyclohexylethyl)propanamide
CID 62407749

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylethyl)-3-(3-hydroxybutyl)urea?
The IUPAC name of 1-(1-cyclohexylethyl)-3-(3-hydroxybutyl)urea (CID 111507132) is 1-(1-cyclohexylethyl)-3-(3-hydroxybutyl)urea.
What is the SMILES notation for 1-(1-cyclohexylethyl)-3-(3-hydroxybutyl)urea?
The canonical SMILES for 1-(1-cyclohexylethyl)-3-(3-hydroxybutyl)urea is CC(O)CCNC(=O)NC(C)C1CCCCC1.
What is the InChIKey of 1-(1-cyclohexylethyl)-3-(3-hydroxybutyl)urea?
The InChIKey is LWUJWPVCQWKEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10(16)8-9-14-13(17)15-11(2)12-6-4-3-5-7-12/h10-12,16H,3-9H2,1-2H3,(H2,14,15,17).
What are the key properties of 1-(1-cyclohexylethyl)-3-(3-hydroxybutyl)urea?
1-(1-cyclohexylethyl)-3-(3-hydroxybutyl)urea has a molecular weight of 242.36 g/mol, XLogP of 2.03, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylethyl)-3-(3-hydroxybutyl)urea is sourced from PubChem (CID 111507132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).