1-[4-(1-hydroxyethyl)phenyl]-3-(3-propoxypropyl)urea

C15H24N2O3 — CID 82946717

IUPAC1-[4-(1-hydroxyethyl)phenyl]-3-(3-propoxypropyl)urea
SMILESCCCOCCCNC(=O)Nc1ccc(C(C)O)cc1
InChIInChI=1S/C15H24N2O3/c1-3-10-20-11-4-9-16-15(19)17-14-7-5-13(6-8-14)12(2)18/h5-8,12,18H,3-4,9-11H2,1-2H3,(H2,16,17,19)
InChIKeyLRLWQJRFOBAYFT-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.68
Rot. Bonds8

About 1-[4-(1-hydroxyethyl)phenyl]-3-(3-propoxypropyl)urea

1-[4-(1-hydroxyethyl)phenyl]-3-(3-propoxypropyl)urea (PubChem CID 82946717) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[4-(1-hydroxyethyl)phenyl]-3-(3-propoxypropyl)urea.

Molecular Properties

Compound Name1-[4-(1-hydroxyethyl)phenyl]-3-(3-propoxypropyl)urea
PubChem CID82946717
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-[4-(1-hydroxyethyl)phenyl]-3-(3-propoxypropyl)urea
SMILESCCCOCCCNC(=O)Nc1ccc(C(C)O)cc1
InChIInChI=1S/C15H24N2O3/c1-3-10-20-11-4-9-16-15(19)17-14-7-5-13(6-8-14)12(2)18/h5-8,12,18H,3-4,9-11H2,1-2H3,(H2,16,17,19)
InChIKeyLRLWQJRFOBAYFT-UHFFFAOYSA-N
XLogP2.68
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.68
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-[4-(1-hydroxyethyl)phenyl]-3-[2-[methyl(propan-2-yl)amino]ethyl]urea
CID 62641101
1-[4-(1-hydroxyethyl)phenyl]-3-(2-sulfamoylethyl)urea
CID 61342170
1-(4-aminophenyl)-3-(3-ethoxypropyl)urea
CID 43469047
ethyl 2-[[4-(1-hydroxyethyl)phenyl]carbamoylamino]acetate
CID 61340701
1-(4-tert-butylphenyl)-3-[3-(2-methylpropoxy)propyl]urea
CID 52543250
1-(4-acetylphenyl)-3-[3-(2-methoxyethoxy)propyl]urea
CID 60724202
N-(3-butoxypropyl)-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide
CID 51362485
1-(3-butoxypropyl)-3-(3,5-dimethylphenyl)urea
CID 127566183
1-(2-ethoxy-2-methylpropyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 114943941
ethyl 3-(3-propoxypropylcarbamoylamino)benzoate
CID 3693237
1-[4-(1-hydroxyethyl)phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 61347612
1-ethyl-3-(4-propan-2-ylphenyl)urea
CID 4647135

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-hydroxyethyl)phenyl]-3-(3-propoxypropyl)urea?
The IUPAC name of 1-[4-(1-hydroxyethyl)phenyl]-3-(3-propoxypropyl)urea (CID 82946717) is 1-[4-(1-hydroxyethyl)phenyl]-3-(3-propoxypropyl)urea.
What is the SMILES notation for 1-[4-(1-hydroxyethyl)phenyl]-3-(3-propoxypropyl)urea?
The canonical SMILES for 1-[4-(1-hydroxyethyl)phenyl]-3-(3-propoxypropyl)urea is CCCOCCCNC(=O)Nc1ccc(C(C)O)cc1.
What is the InChIKey of 1-[4-(1-hydroxyethyl)phenyl]-3-(3-propoxypropyl)urea?
The InChIKey is LRLWQJRFOBAYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-3-10-20-11-4-9-16-15(19)17-14-7-5-13(6-8-14)12(2)18/h5-8,12,18H,3-4,9-11H2,1-2H3,(H2,16,17,19).
What are the key properties of 1-[4-(1-hydroxyethyl)phenyl]-3-(3-propoxypropyl)urea?
1-[4-(1-hydroxyethyl)phenyl]-3-(3-propoxypropyl)urea has a molecular weight of 280.37 g/mol, XLogP of 2.68, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-hydroxyethyl)phenyl]-3-(3-propoxypropyl)urea is sourced from PubChem (CID 82946717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).