3-[3-(2-methoxyethoxy)phenyl]-1-methyl-1-(pyridin-4-ylmethyl)urea

C17H21N3O3 — CID 87010136

IUPAC3-[3-(2-methoxyethoxy)phenyl]-1-methyl-1-(pyridin-4-ylmethyl)urea
SMILESCOCCOc1cccc(NC(=O)N(C)Cc2ccncc2)c1
InChIInChI=1S/C17H21N3O3/c1-20(13-14-6-8-18-9-7-14)17(21)19-15-4-3-5-16(12-15)23-11-10-22-2/h3-9,12H,10-11,13H2,1-2H3,(H,19,21)
InChIKeyBYSAMIBIBCIMDM-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.77
Rot. Bonds7

About 3-[3-(2-methoxyethoxy)phenyl]-1-methyl-1-(pyridin-4-ylmethyl)urea

3-[3-(2-methoxyethoxy)phenyl]-1-methyl-1-(pyridin-4-ylmethyl)urea (PubChem CID 87010136) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 3-[3-(2-methoxyethoxy)phenyl]-1-methyl-1-(pyridin-4-ylmethyl)urea.

Molecular Properties

Compound Name3-[3-(2-methoxyethoxy)phenyl]-1-methyl-1-(pyridin-4-ylmethyl)urea
PubChem CID87010136
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name3-[3-(2-methoxyethoxy)phenyl]-1-methyl-1-(pyridin-4-ylmethyl)urea
SMILESCOCCOc1cccc(NC(=O)N(C)Cc2ccncc2)c1
InChIInChI=1S/C17H21N3O3/c1-20(13-14-6-8-18-9-7-14)17(21)19-15-4-3-5-16(12-15)23-11-10-22-2/h3-9,12H,10-11,13H2,1-2H3,(H,19,21)
InChIKeyBYSAMIBIBCIMDM-UHFFFAOYSA-N
XLogP2.77
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[3-(2-methoxyethoxy)phenyl]-1-methyl-1-(pyridin-4-ylmethyl)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-[3-(2-methoxyethoxy)phenyl]-1-methyl-1-(pyrazin-2-ylmethyl)urea
CID 72926210
N-(3-fluorophenyl)-3-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]benzamide
CID 87010607
1-benzyl-1-methyl-3-pyridin-4-ylurea
CID 47385426
4-chloro-N-[3-(2-methoxyethoxy)phenyl]pyridine-2-carboxamide
CID 61041653
3-(3-aminophenoxy)-N-methyl-N-(pyridin-4-ylmethyl)propanamide
CID 61095622
1-[2-(4-methoxyphenoxy)ethyl]-3-(3-methoxyphenyl)-1-methylurea
CID 51328279
1-[(3-hydroxy-4-methoxyphenyl)methyl]-3-(3-methoxyphenyl)-1-methylurea
CID 87044605
3-[3-(2-aminoethoxy)phenyl]-1,1-dimethylurea
CID 79154063
N-methyl-3-phenoxy-N-(pyridin-4-ylmethyl)propanamide
CID 110724771
1-(3,4-dichlorophenyl)-3-[3-(2-methoxyethoxy)phenyl]urea
CID 55910965
3-[3-(2-chloroethoxy)phenyl]-1-methoxy-1-methylurea
CID 54473679
2-chloro-N-[3-(2-methoxyethoxy)phenyl]pyridine-3-carboxamide
CID 61041501

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methoxyethoxy)phenyl]-1-methyl-1-(pyridin-4-ylmethyl)urea?
The IUPAC name of 3-[3-(2-methoxyethoxy)phenyl]-1-methyl-1-(pyridin-4-ylmethyl)urea (CID 87010136) is 3-[3-(2-methoxyethoxy)phenyl]-1-methyl-1-(pyridin-4-ylmethyl)urea.
What is the SMILES notation for 3-[3-(2-methoxyethoxy)phenyl]-1-methyl-1-(pyridin-4-ylmethyl)urea?
The canonical SMILES for 3-[3-(2-methoxyethoxy)phenyl]-1-methyl-1-(pyridin-4-ylmethyl)urea is COCCOc1cccc(NC(=O)N(C)Cc2ccncc2)c1.
What is the InChIKey of 3-[3-(2-methoxyethoxy)phenyl]-1-methyl-1-(pyridin-4-ylmethyl)urea?
The InChIKey is BYSAMIBIBCIMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-20(13-14-6-8-18-9-7-14)17(21)19-15-4-3-5-16(12-15)23-11-10-22-2/h3-9,12H,10-11,13H2,1-2H3,(H,19,21).
What are the key properties of 3-[3-(2-methoxyethoxy)phenyl]-1-methyl-1-(pyridin-4-ylmethyl)urea?
3-[3-(2-methoxyethoxy)phenyl]-1-methyl-1-(pyridin-4-ylmethyl)urea has a molecular weight of 315.37 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methoxyethoxy)phenyl]-1-methyl-1-(pyridin-4-ylmethyl)urea is sourced from PubChem (CID 87010136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).