1-[(3-hydroxycyclohexyl)methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea

C19H30N2O3 — CID 111506241

IUPAC1-[(3-hydroxycyclohexyl)methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
SMILESCC(C)c1ccccc1OCCNC(=O)NCC1CCCC(O)C1
InChIInChI=1S/C19H30N2O3/c1-14(2)17-8-3-4-9-18(17)24-11-10-20-19(23)21-13-15-6-5-7-16(22)12-15/h3-4,8-9,14-16,22H,5-7,10-13H2,1-2H3,(H2,20,21,23)
InChIKeyFRERBOKGIOUQNG-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.04
Rot. Bonds7

About 1-[(3-hydroxycyclohexyl)methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea

1-[(3-hydroxycyclohexyl)methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea (PubChem CID 111506241) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-[(3-hydroxycyclohexyl)methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-[(3-hydroxycyclohexyl)methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
PubChem CID111506241
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name1-[(3-hydroxycyclohexyl)methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
SMILESCC(C)c1ccccc1OCCNC(=O)NCC1CCCC(O)C1
InChIInChI=1S/C19H30N2O3/c1-14(2)17-8-3-4-9-18(17)24-11-10-20-19(23)21-13-15-6-5-7-16(22)12-15/h3-4,8-9,14-16,22H,5-7,10-13H2,1-2H3,(H2,20,21,23)
InChIKeyFRERBOKGIOUQNG-UHFFFAOYSA-N
XLogP3.04
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[[(3S)-oxolan-3-yl]methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 95622093
N-[(3-hydroxycyclohexyl)methyl]-3-(2-methoxyphenyl)butanamide
CID 111460021
4-[2-(2-propan-2-ylphenoxy)ethylcarbamoylamino]butanoic acid
CID 122001770
1-[3-(dimethylamino)propyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972198
1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972191
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 111435144
1-[(2-methoxyphenyl)methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972214
1-[(3-hydroxycyclohexyl)methyl]-3-(2-phenylbutyl)urea
CID 111504109
N-[(3-hydroxycyclohexyl)methyl]-N'-(2-methyl-6-propan-2-ylphenyl)oxamide
CID 111490641
N-[2-(2-propan-2-ylphenoxy)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119784417
1-[(3-hydroxycyclohexyl)methyl]-3-[3-(2-methylpropoxy)phenyl]urea
CID 111473884
1-[(3-hydroxycyclohexyl)methyl]-3-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]urea
CID 111505408

Frequently Asked Questions

What is the IUPAC name of 1-[(3-hydroxycyclohexyl)methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea?
The IUPAC name of 1-[(3-hydroxycyclohexyl)methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea (CID 111506241) is 1-[(3-hydroxycyclohexyl)methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea.
What is the SMILES notation for 1-[(3-hydroxycyclohexyl)methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea?
The canonical SMILES for 1-[(3-hydroxycyclohexyl)methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea is CC(C)c1ccccc1OCCNC(=O)NCC1CCCC(O)C1.
What is the InChIKey of 1-[(3-hydroxycyclohexyl)methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea?
The InChIKey is FRERBOKGIOUQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-14(2)17-8-3-4-9-18(17)24-11-10-20-19(23)21-13-15-6-5-7-16(22)12-15/h3-4,8-9,14-16,22H,5-7,10-13H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-[(3-hydroxycyclohexyl)methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea?
1-[(3-hydroxycyclohexyl)methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea has a molecular weight of 334.46 g/mol, XLogP of 3.04, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-hydroxycyclohexyl)methyl]-3-[2-(2-propan-2-ylphenoxy)ethyl]urea is sourced from PubChem (CID 111506241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).