1-(2-methoxyethyl)-3-phenyl-1-(1-pyridin-3-ylethyl)urea

C17H21N3O2 — CID 4576987

IUPAC1-(2-methoxyethyl)-3-phenyl-1-(1-pyridin-3-ylethyl)urea
SMILESCOCCN(C(=O)Nc1ccccc1)C(C)c1cccnc1
InChIInChI=1S/C17H21N3O2/c1-14(15-7-6-10-18-13-15)20(11-12-22-2)17(21)19-16-8-4-3-5-9-16/h3-10,13-14H,11-12H2,1-2H3,(H,19,21)
InChIKeyQDDFHXDQHRQBRY-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.32
Rot. Bonds6

About 1-(2-methoxyethyl)-3-phenyl-1-(1-pyridin-3-ylethyl)urea

1-(2-methoxyethyl)-3-phenyl-1-(1-pyridin-3-ylethyl)urea (PubChem CID 4576987) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-phenyl-1-(1-pyridin-3-ylethyl)urea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-phenyl-1-(1-pyridin-3-ylethyl)urea
PubChem CID4576987
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name1-(2-methoxyethyl)-3-phenyl-1-(1-pyridin-3-ylethyl)urea
SMILESCOCCN(C(=O)Nc1ccccc1)C(C)c1cccnc1
InChIInChI=1S/C17H21N3O2/c1-14(15-7-6-10-18-13-15)20(11-12-22-2)17(21)19-16-8-4-3-5-9-16/h3-10,13-14H,11-12H2,1-2H3,(H,19,21)
InChIKeyQDDFHXDQHRQBRY-UHFFFAOYSA-N
XLogP3.32
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-methoxyethyl)-3-phenyl-1-(1-pyridin-3-ylethyl)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-Cyclohexyl-3-(pyridin-4-ylmethyl)urea
CID 888059
1-Cyclohexyl-3-(3-pyridylmethyl)urea
CID 650313
1-Phenyl-3-(3-pyridylmethyl)urea
CID 853670
N-(tert-butyl)-N'-(3-pyridylmethyl)urea
CID 290474
1-(4-Methylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 4677493
1-Phenyl-3-(pyridin-4-ylmethyl)urea
CID 306456
N-(3-methylphenyl)-N'-4-pyridinylurea
CID 6469540
1-(4-Methylphenyl)-3-pyridin-3-ylurea
CID 790714
1,1'-Hexamethylenebis(3-(3-pyridylmethyl)urea)
CID 3099034
N-(4-fluorophenyl)-N'-[2-(4-pyridinyl)ethyl]urea
CID 894512
2-(3-pyridinyl)-N-[2-(trifluoromethyl)phenyl]-1-pyrrolidinecarboxamide
CID 2738281
1-(2-Ethylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 4463258

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-phenyl-1-(1-pyridin-3-ylethyl)urea?
The IUPAC name of 1-(2-methoxyethyl)-3-phenyl-1-(1-pyridin-3-ylethyl)urea (CID 4576987) is 1-(2-methoxyethyl)-3-phenyl-1-(1-pyridin-3-ylethyl)urea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-phenyl-1-(1-pyridin-3-ylethyl)urea?
The canonical SMILES for 1-(2-methoxyethyl)-3-phenyl-1-(1-pyridin-3-ylethyl)urea is COCCN(C(=O)Nc1ccccc1)C(C)c1cccnc1.
What is the InChIKey of 1-(2-methoxyethyl)-3-phenyl-1-(1-pyridin-3-ylethyl)urea?
The InChIKey is QDDFHXDQHRQBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-14(15-7-6-10-18-13-15)20(11-12-22-2)17(21)19-16-8-4-3-5-9-16/h3-10,13-14H,11-12H2,1-2H3,(H,19,21).
What are the key properties of 1-(2-methoxyethyl)-3-phenyl-1-(1-pyridin-3-ylethyl)urea?
1-(2-methoxyethyl)-3-phenyl-1-(1-pyridin-3-ylethyl)urea has a molecular weight of 299.37 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-phenyl-1-(1-pyridin-3-ylethyl)urea is sourced from PubChem (CID 4576987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).