3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-(2-propan-2-yloxyethyl)urea

C15H24N2O3 — CID 81062388

IUPAC3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-(2-propan-2-yloxyethyl)urea
SMILESCC(C)OCCN(C)C(=O)Nc1ccc(C(C)O)cc1
InChIInChI=1S/C15H24N2O3/c1-11(2)20-10-9-17(4)15(19)16-14-7-5-13(6-8-14)12(3)18/h5-8,11-12,18H,9-10H2,1-4H3,(H,16,19)
InChIKeyRTYGOKOXGXDSCG-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.63
Rot. Bonds6

About 3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-(2-propan-2-yloxyethyl)urea

3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-(2-propan-2-yloxyethyl)urea (PubChem CID 81062388) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-(2-propan-2-yloxyethyl)urea.

Molecular Properties

Compound Name3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-(2-propan-2-yloxyethyl)urea
PubChem CID81062388
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-(2-propan-2-yloxyethyl)urea
SMILESCC(C)OCCN(C)C(=O)Nc1ccc(C(C)O)cc1
InChIInChI=1S/C15H24N2O3/c1-11(2)20-10-9-17(4)15(19)16-14-7-5-13(6-8-14)12(3)18/h5-8,11-12,18H,9-10H2,1-4H3,(H,16,19)
InChIKeyRTYGOKOXGXDSCG-UHFFFAOYSA-N
XLogP2.63
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-(2-propan-2-yloxyethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-3-[4-[1-(methylamino)ethyl]phenyl]-1-(2-propan-2-yloxyethyl)urea
CID 81043795
1-[2-(dimethylamino)ethyl]-3-[4-(1-hydroxyethyl)phenyl]-1-methylurea
CID 63699163
3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-propan-2-ylurea
CID 61347436
1-(2-ethoxyethyl)-3-[4-[1-(ethylamino)ethyl]phenyl]-1-methylurea
CID 81043794
1-cyclopropyl-3-[4-(1-hydroxyethyl)phenyl]-1-(2-methoxyethyl)urea
CID 61455441
3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 63836669
3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-(thiophen-3-ylmethyl)urea
CID 61341427
3-amino-1-methyl-1-(2-propan-2-yloxyethyl)urea
CID 81062243
2-methyl-3-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]benzoic acid
CID 81036622
3-(4-iodophenyl)-1-(2-methoxyethyl)-1-methylurea
CID 47324452
3-[4-(1-aminoethyl)phenyl]-1-butyl-1-methylurea
CID 61340181
1-[4-(1-hydroxyethyl)phenyl]-3-[2-[methyl(propan-2-yl)amino]ethyl]urea
CID 62641101

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-(2-propan-2-yloxyethyl)urea?
The IUPAC name of 3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-(2-propan-2-yloxyethyl)urea (CID 81062388) is 3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-(2-propan-2-yloxyethyl)urea.
What is the SMILES notation for 3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-(2-propan-2-yloxyethyl)urea?
The canonical SMILES for 3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-(2-propan-2-yloxyethyl)urea is CC(C)OCCN(C)C(=O)Nc1ccc(C(C)O)cc1.
What is the InChIKey of 3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-(2-propan-2-yloxyethyl)urea?
The InChIKey is RTYGOKOXGXDSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-11(2)20-10-9-17(4)15(19)16-14-7-5-13(6-8-14)12(3)18/h5-8,11-12,18H,9-10H2,1-4H3,(H,16,19).
What are the key properties of 3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-(2-propan-2-yloxyethyl)urea?
3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-(2-propan-2-yloxyethyl)urea has a molecular weight of 280.37 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-hydroxyethyl)phenyl]-1-methyl-1-(2-propan-2-yloxyethyl)urea is sourced from PubChem (CID 81062388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).