1-[2-(2-methylphenoxy)ethyl]-3-[(6-methyl-2-pyridinyl)methyl]urea

C17H21N3O2 — CID 86826143

IUPAC1-[2-(2-methylphenoxy)ethyl]-3-[(6-methyl-2-pyridinyl)methyl]urea
SMILESCc1cccc(CNC(=O)NCCOc2ccccc2C)n1
InChIInChI=1S/C17H21N3O2/c1-13-6-3-4-9-16(13)22-11-10-18-17(21)19-12-15-8-5-7-14(2)20-15/h3-9H,10-12H2,1-2H3,(H2,18,19,21)
InChIKeyZJSGCZFADVVFCH-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.58
Rot. Bonds6

About 1-[2-(2-methylphenoxy)ethyl]-3-[(6-methyl-2-pyridinyl)methyl]urea

1-[2-(2-methylphenoxy)ethyl]-3-[(6-methyl-2-pyridinyl)methyl]urea (PubChem CID 86826143) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-[2-(2-methylphenoxy)ethyl]-3-[(6-methyl-2-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(2-methylphenoxy)ethyl]-3-[(6-methyl-2-pyridinyl)methyl]urea
PubChem CID86826143
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name1-[2-(2-methylphenoxy)ethyl]-3-[(6-methyl-2-pyridinyl)methyl]urea
SMILESCc1cccc(CNC(=O)NCCOc2ccccc2C)n1
InChIInChI=1S/C17H21N3O2/c1-13-6-3-4-9-16(13)22-11-10-18-17(21)19-12-15-8-5-7-14(2)20-15/h3-9H,10-12H2,1-2H3,(H2,18,19,21)
InChIKeyZJSGCZFADVVFCH-UHFFFAOYSA-N
XLogP2.58
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-[2-(2-methylphenoxy)ethyl]urea
CID 47307518
1-ethyl-3-[3-(2-methylphenoxy)propyl]urea
CID 108883834
1-tert-butyl-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969797
1-(2-methoxyphenyl)-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969846
1-(furan-2-ylmethyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883809
2-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 87041318
ethyl 2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]acetate
CID 55057245
2-(2-methoxyphenoxy)-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 87041322
2-N,5-N-bis[2-(2-methylphenoxy)ethyl]thiophene-2,5-dicarboxamide
CID 2227968
N-[3-[3-(2-methylphenoxy)propylcarbamoylamino]propyl]formamide
CID 108883904
1-(4-hydroxy-2,2-dimethylbutyl)-3-[2-(2-methylphenoxy)ethyl]urea
CID 111505101
1-(2-methoxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883704

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylphenoxy)ethyl]-3-[(6-methyl-2-pyridinyl)methyl]urea?
The IUPAC name of 1-[2-(2-methylphenoxy)ethyl]-3-[(6-methyl-2-pyridinyl)methyl]urea (CID 86826143) is 1-[2-(2-methylphenoxy)ethyl]-3-[(6-methyl-2-pyridinyl)methyl]urea.
What is the SMILES notation for 1-[2-(2-methylphenoxy)ethyl]-3-[(6-methyl-2-pyridinyl)methyl]urea?
The canonical SMILES for 1-[2-(2-methylphenoxy)ethyl]-3-[(6-methyl-2-pyridinyl)methyl]urea is Cc1cccc(CNC(=O)NCCOc2ccccc2C)n1.
What is the InChIKey of 1-[2-(2-methylphenoxy)ethyl]-3-[(6-methyl-2-pyridinyl)methyl]urea?
The InChIKey is ZJSGCZFADVVFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-13-6-3-4-9-16(13)22-11-10-18-17(21)19-12-15-8-5-7-14(2)20-15/h3-9H,10-12H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-[2-(2-methylphenoxy)ethyl]-3-[(6-methyl-2-pyridinyl)methyl]urea?
1-[2-(2-methylphenoxy)ethyl]-3-[(6-methyl-2-pyridinyl)methyl]urea has a molecular weight of 299.37 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylphenoxy)ethyl]-3-[(6-methyl-2-pyridinyl)methyl]urea is sourced from PubChem (CID 86826143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).