1-(2,6-diethylphenyl)-3-[3-(2-methylphenoxy)propyl]urea

C21H28N2O2 — CID 108883771

IUPAC1-(2,6-diethylphenyl)-3-[3-(2-methylphenoxy)propyl]urea
SMILESCCc1cccc(CC)c1NC(=O)NCCCOc1ccccc1C
InChIInChI=1S/C21H28N2O2/c1-4-17-11-8-12-18(5-2)20(17)23-21(24)22-14-9-15-25-19-13-7-6-10-16(19)3/h6-8,10-13H,4-5,9,14-15H2,1-3H3,(H2,22,23,24)
InChIKeyGMPFEKPYLQNTOH-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.71
Rot. Bonds8

About 1-(2,6-diethylphenyl)-3-[3-(2-methylphenoxy)propyl]urea

1-(2,6-diethylphenyl)-3-[3-(2-methylphenoxy)propyl]urea (PubChem CID 108883771) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-(2,6-diethylphenyl)-3-[3-(2-methylphenoxy)propyl]urea.

Molecular Properties

Compound Name1-(2,6-diethylphenyl)-3-[3-(2-methylphenoxy)propyl]urea
PubChem CID108883771
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name1-(2,6-diethylphenyl)-3-[3-(2-methylphenoxy)propyl]urea
SMILESCCc1cccc(CC)c1NC(=O)NCCCOc1ccccc1C
InChIInChI=1S/C21H28N2O2/c1-4-17-11-8-12-18(5-2)20(17)23-21(24)22-14-9-15-25-19-13-7-6-10-16(19)3/h6-8,10-13H,4-5,9,14-15H2,1-3H3,(H2,22,23,24)
InChIKeyGMPFEKPYLQNTOH-UHFFFAOYSA-N
XLogP4.71
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2,6-diethylphenyl)-3-[3-(2-methylphenoxy)propyl]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-[2-(2-chlorophenoxy)ethyl]-3-(2-ethyl-6-methylphenyl)urea
CID 112970637
1-ethyl-3-[3-(2-methylphenoxy)propyl]urea
CID 108883834
1-(2-methoxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883704
1-(2,6-diethylphenyl)-3-[3-(2-ethoxyphenyl)propyl]urea
CID 44589284
1-(4-hydroxy-2-methylphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883755
1-(3-hydroxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883694
1-[3-(2-chlorophenoxy)propyl]-3-(2,6-dimethylphenyl)urea
CID 108883611
1-[2-(2-ethylphenoxy)ethyl]-3-(2,4,6-trimethylphenyl)urea
CID 112971734
1-(2-chloro-4,6-dimethylphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883961
1-butyl-3-(2-ethyl-6-methylphenyl)urea
CID 4278345
N-(2-ethyl-6-methylphenyl)-4-(2-methylphenoxy)butanamide
CID 19173293
1-(4-ethoxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883788

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-diethylphenyl)-3-[3-(2-methylphenoxy)propyl]urea?
The IUPAC name of 1-(2,6-diethylphenyl)-3-[3-(2-methylphenoxy)propyl]urea (CID 108883771) is 1-(2,6-diethylphenyl)-3-[3-(2-methylphenoxy)propyl]urea.
What is the SMILES notation for 1-(2,6-diethylphenyl)-3-[3-(2-methylphenoxy)propyl]urea?
The canonical SMILES for 1-(2,6-diethylphenyl)-3-[3-(2-methylphenoxy)propyl]urea is CCc1cccc(CC)c1NC(=O)NCCCOc1ccccc1C.
What is the InChIKey of 1-(2,6-diethylphenyl)-3-[3-(2-methylphenoxy)propyl]urea?
The InChIKey is GMPFEKPYLQNTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-4-17-11-8-12-18(5-2)20(17)23-21(24)22-14-9-15-25-19-13-7-6-10-16(19)3/h6-8,10-13H,4-5,9,14-15H2,1-3H3,(H2,22,23,24).
What are the key properties of 1-(2,6-diethylphenyl)-3-[3-(2-methylphenoxy)propyl]urea?
1-(2,6-diethylphenyl)-3-[3-(2-methylphenoxy)propyl]urea has a molecular weight of 340.47 g/mol, XLogP of 4.71, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-diethylphenyl)-3-[3-(2-methylphenoxy)propyl]urea is sourced from PubChem (CID 108883771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).