1-(2-hydroxyethyl)-3-(3-methylphenyl)-1-propylurea

C13H20N2O2 — CID 60736581

IUPAC1-(2-hydroxyethyl)-3-(3-methylphenyl)-1-propylurea
SMILESCCCN(CCO)C(=O)Nc1cccc(C)c1
InChIInChI=1S/C13H20N2O2/c1-3-7-15(8-9-16)13(17)14-12-6-4-5-11(2)10-12/h4-6,10,16H,3,7-9H2,1-2H3,(H,14,17)
InChIKeyYUCYWGHYOBXWSP-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.23
Rot. Bonds5

About 1-(2-hydroxyethyl)-3-(3-methylphenyl)-1-propylurea

1-(2-hydroxyethyl)-3-(3-methylphenyl)-1-propylurea (PubChem CID 60736581) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-(3-methylphenyl)-1-propylurea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-(3-methylphenyl)-1-propylurea
PubChem CID60736581
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-(2-hydroxyethyl)-3-(3-methylphenyl)-1-propylurea
SMILESCCCN(CCO)C(=O)Nc1cccc(C)c1
InChIInChI=1S/C13H20N2O2/c1-3-7-15(8-9-16)13(17)14-12-6-4-5-11(2)10-12/h4-6,10,16H,3,7-9H2,1-2H3,(H,14,17)
InChIKeyYUCYWGHYOBXWSP-UHFFFAOYSA-N
XLogP2.23
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2-hydroxyethyl)-3-(3-methylphenyl)-1-propylurea 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

3-(3-bromophenyl)-1-(2-hydroxyethyl)-1-propylurea
CID 52910304
2-[(3-methylphenyl)carbamoyl-propylamino]acetic acid
CID 61008181
1-[2-(methylamino)ethyl]-3-(3-methylphenyl)-1-propylurea;molecular hydrogen
CID 143509551
3-(3-acetylphenyl)-1,1-bis(2-hydroxyethyl)urea
CID 61347604
1-(2-aminoethyl)-1-ethyl-3-(3-methylphenyl)urea
CID 61348548
3-(3-acetylphenyl)-1-(2-hydroxyethyl)-1-pentylurea
CID 111119299
1-butyl-1-methyl-3-(3-methylphenyl)urea
CID 5220454
N'-butyl-N-(3-methylphenyl)-N'-propyloxamide
CID 108515660
methyl 3-(dipropylcarbamoylamino)benzoate
CID 108990977
3-(3-bromophenyl)-1-heptyl-1-propylurea
CID 141136660
1-cyclopentyl-1-(2-hydroxyethyl)-3-(3-methylphenyl)urea
CID 54999134
3-[3-(chloromethyl)phenyl]-1,1-bis(2-hydroxyethyl)urea
CID 57213701

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-(3-methylphenyl)-1-propylurea?
The IUPAC name of 1-(2-hydroxyethyl)-3-(3-methylphenyl)-1-propylurea (CID 60736581) is 1-(2-hydroxyethyl)-3-(3-methylphenyl)-1-propylurea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-(3-methylphenyl)-1-propylurea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-(3-methylphenyl)-1-propylurea is CCCN(CCO)C(=O)Nc1cccc(C)c1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-(3-methylphenyl)-1-propylurea?
The InChIKey is YUCYWGHYOBXWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-7-15(8-9-16)13(17)14-12-6-4-5-11(2)10-12/h4-6,10,16H,3,7-9H2,1-2H3,(H,14,17).
What are the key properties of 1-(2-hydroxyethyl)-3-(3-methylphenyl)-1-propylurea?
1-(2-hydroxyethyl)-3-(3-methylphenyl)-1-propylurea has a molecular weight of 236.31 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-(3-methylphenyl)-1-propylurea is sourced from PubChem (CID 60736581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).