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

C21H28N2O2 — CID 112972497

IUPAC1-ethyl-1-(3-methylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea
SMILESCCN(C(=O)NCCOc1cccc(C(C)C)c1)c1cccc(C)c1
InChIInChI=1S/C21H28N2O2/c1-5-23(19-10-6-8-17(4)14-19)21(24)22-12-13-25-20-11-7-9-18(15-20)16(2)3/h6-11,14-16H,5,12-13H2,1-4H3,(H,22,24)
InChIKeyPEGGOSABERIICL-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.73
Rot. Bonds7

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

1-ethyl-1-(3-methylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea (PubChem CID 112972497) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-ethyl-1-(3-methylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-ethyl-1-(3-methylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea
PubChem CID112972497
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name1-ethyl-1-(3-methylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea
SMILESCCN(C(=O)NCCOc1cccc(C(C)C)c1)c1cccc(C)c1
InChIInChI=1S/C21H28N2O2/c1-5-23(19-10-6-8-17(4)14-19)21(24)22-12-13-25-20-11-7-9-18(15-20)16(2)3/h6-11,14-16H,5,12-13H2,1-4H3,(H,22,24)
InChIKeyPEGGOSABERIICL-UHFFFAOYSA-N
XLogP4.73
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-ethyl-1-(3-methylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]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

3-[2-(3,5-dimethylphenoxy)ethyl]-1-ethyl-1-(3-methylphenyl)urea
CID 112974053
1-ethyl-3-(3-methoxypropyl)-1-(3-methylphenyl)urea
CID 108988156
1-ethyl-3-[2-(2-fluorophenoxy)ethyl]-1-(3-methylphenyl)urea
CID 112970324
1,1-diethyl-3-[2-(3-methylphenoxy)ethyl]urea
CID 112969935
3-[2-(3,4-dimethylphenoxy)ethyl]-1-ethyl-1-phenylurea
CID 112974161
1-[4-(diethylamino)phenyl]-3-[2-(3-propan-2-ylphenoxy)ethyl]urea
CID 112972476
2-oxo-2-[2-(3-propan-2-ylphenoxy)ethylamino]acetic acid
CID 94690399
1-ethyl-1-(3-methylphenyl)-3-[1-(4-propan-2-ylphenoxy)ethyl]urea
CID 108880749
1-(2,6-dimethylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea
CID 112972433
1-tert-butyl-3-[2-(3-propan-2-ylphenoxy)ethyl]urea
CID 112972410
1-ethyl-1-phenyl-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea
CID 112974629
1-ethyl-1-(3-methylphenyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 108899788

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(3-methylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea?
The IUPAC name of 1-ethyl-1-(3-methylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea (CID 112972497) is 1-ethyl-1-(3-methylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea.
What is the SMILES notation for 1-ethyl-1-(3-methylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea?
The canonical SMILES for 1-ethyl-1-(3-methylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea is CCN(C(=O)NCCOc1cccc(C(C)C)c1)c1cccc(C)c1.
What is the InChIKey of 1-ethyl-1-(3-methylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea?
The InChIKey is PEGGOSABERIICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-5-23(19-10-6-8-17(4)14-19)21(24)22-12-13-25-20-11-7-9-18(15-20)16(2)3/h6-11,14-16H,5,12-13H2,1-4H3,(H,22,24).
What are the key properties of 1-ethyl-1-(3-methylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea?
1-ethyl-1-(3-methylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea has a molecular weight of 340.47 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(3-methylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea is sourced from PubChem (CID 112972497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).