1-[3-(1-hydroxyethyl)phenyl]-3-(2-propan-2-yloxyethyl)urea

C14H22N2O3 — CID 104765102

IUPAC1-[3-(1-hydroxyethyl)phenyl]-3-(2-propan-2-yloxyethyl)urea
SMILESCC(C)OCCNC(=O)Nc1cccc(C(C)O)c1
InChIInChI=1S/C14H22N2O3/c1-10(2)19-8-7-15-14(18)16-13-6-4-5-12(9-13)11(3)17/h4-6,9-11,17H,7-8H2,1-3H3,(H2,15,16,18)
InChIKeyXEHBBEYPNINBLC-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.29
Rot. Bonds6

About 1-[3-(1-hydroxyethyl)phenyl]-3-(2-propan-2-yloxyethyl)urea

1-[3-(1-hydroxyethyl)phenyl]-3-(2-propan-2-yloxyethyl)urea (PubChem CID 104765102) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[3-(1-hydroxyethyl)phenyl]-3-(2-propan-2-yloxyethyl)urea.

Molecular Properties

Compound Name1-[3-(1-hydroxyethyl)phenyl]-3-(2-propan-2-yloxyethyl)urea
PubChem CID104765102
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1-[3-(1-hydroxyethyl)phenyl]-3-(2-propan-2-yloxyethyl)urea
SMILESCC(C)OCCNC(=O)Nc1cccc(C(C)O)c1
InChIInChI=1S/C14H22N2O3/c1-10(2)19-8-7-15-14(18)16-13-6-4-5-12(9-13)11(3)17/h4-6,9-11,17H,7-8H2,1-3H3,(H2,15,16,18)
InChIKeyXEHBBEYPNINBLC-UHFFFAOYSA-N
XLogP2.29
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.29
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-[3-(1-hydroxyethyl)phenyl]-3-(2-phenylethyl)urea
CID 61347620
N-[3-(1-hydroxyethyl)phenyl]-2-propan-2-yloxyacetamide
CID 112603236
1-[3-(1-aminoethyl)phenyl]-3-(2-methoxyethyl)urea
CID 61340896
1-[3-(1-hydroxyethyl)phenyl]-3-(pyridin-4-ylmethyl)urea
CID 61346080
1-[3-(1-hydroxyethyl)phenyl]-3-[2-(1,3-thiazol-4-yl)ethyl]urea
CID 63824187
1-[3-(1-hydroxyethyl)phenyl]-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 106422671
1-(3,4-dichlorophenyl)-3-(3-propan-2-yloxypropyl)urea
CID 5202458
1-[3-(1-hydroxyethyl)phenyl]-3-(3-methylpentan-2-yl)urea
CID 61466439
1-[3-(1-hydroxyethyl)phenyl]-3-(pyridin-3-ylmethyl)urea
CID 61346078
1-[3-(1-hydroxyethyl)phenyl]-3-[(5-methylpyrazin-2-yl)methyl]urea
CID 62841564
1-[3-(1-hydroxyethyl)phenyl]-3-[(1-methylimidazol-2-yl)methyl]urea
CID 63295753
1-[3-(1-aminoethyl)phenyl]-3-propylurea
CID 43210542

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-hydroxyethyl)phenyl]-3-(2-propan-2-yloxyethyl)urea?
The IUPAC name of 1-[3-(1-hydroxyethyl)phenyl]-3-(2-propan-2-yloxyethyl)urea (CID 104765102) is 1-[3-(1-hydroxyethyl)phenyl]-3-(2-propan-2-yloxyethyl)urea.
What is the SMILES notation for 1-[3-(1-hydroxyethyl)phenyl]-3-(2-propan-2-yloxyethyl)urea?
The canonical SMILES for 1-[3-(1-hydroxyethyl)phenyl]-3-(2-propan-2-yloxyethyl)urea is CC(C)OCCNC(=O)Nc1cccc(C(C)O)c1.
What is the InChIKey of 1-[3-(1-hydroxyethyl)phenyl]-3-(2-propan-2-yloxyethyl)urea?
The InChIKey is XEHBBEYPNINBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10(2)19-8-7-15-14(18)16-13-6-4-5-12(9-13)11(3)17/h4-6,9-11,17H,7-8H2,1-3H3,(H2,15,16,18).
What are the key properties of 1-[3-(1-hydroxyethyl)phenyl]-3-(2-propan-2-yloxyethyl)urea?
1-[3-(1-hydroxyethyl)phenyl]-3-(2-propan-2-yloxyethyl)urea has a molecular weight of 266.34 g/mol, XLogP of 2.29, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-hydroxyethyl)phenyl]-3-(2-propan-2-yloxyethyl)urea is sourced from PubChem (CID 104765102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).