1-butyl-3-(2-phenoxyphenyl)urea

C17H20N2O2 — CID 604054

IUPAC1-butyl-3-(2-phenoxyphenyl)urea
SMILESCCCCNC(=O)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C17H20N2O2/c1-2-3-13-18-17(20)19-15-11-7-8-12-16(15)21-14-9-5-4-6-10-14/h4-12H,2-3,13H2,1H3,(H2,18,19,20)
InChIKeyBLJLVIBUXXHCGH-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.40
Rot. Bonds6

About 1-butyl-3-(2-phenoxyphenyl)urea

1-butyl-3-(2-phenoxyphenyl)urea (PubChem CID 604054) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-butyl-3-(2-phenoxyphenyl)urea.

Molecular Properties

Compound Name1-butyl-3-(2-phenoxyphenyl)urea
PubChem CID604054
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-butyl-3-(2-phenoxyphenyl)urea
SMILESCCCCNC(=O)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C17H20N2O2/c1-2-3-13-18-17(20)19-15-11-7-8-12-16(15)21-14-9-5-4-6-10-14/h4-12H,2-3,13H2,1H3,(H2,18,19,20)
InChIKeyBLJLVIBUXXHCGH-UHFFFAOYSA-N
XLogP4.40
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-N-butyl-6-N-(2-phenoxyphenyl)pyridine-2,6-dicarboxamide
CID 109094361
1-(methoxymethyl)-3-(2-phenoxyphenyl)urea
CID 110676062
N-(2-phenoxyphenyl)decanamide
CID 4091110
2-(pentylamino)-N-(2-phenoxyphenyl)acetamide
CID 109006006
1-(2-hydroxyethyl)-3-[2-(4-methylphenoxy)phenyl]urea
CID 110894141
1-(5-chloro-2-phenoxyphenyl)-3-propylurea
CID 100748519
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-phenoxyphenyl)urea
CID 52593578
3-(2-phenoxyanilino)-N-propylpropanamide
CID 109011455
2-chloro-N-[(2-phenoxyphenyl)carbamoyl]acetamide
CID 43328802
1-[(2-fluorophenyl)methyl]-3-(2-phenoxyphenyl)urea
CID 108988918
1-(3-hydroxypropyl)-3-(2-propoxyphenyl)urea
CID 110890857
1-(2-ethoxyphenyl)-3-(4-phenylbutyl)urea
CID 24818671

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(2-phenoxyphenyl)urea?
The IUPAC name of 1-butyl-3-(2-phenoxyphenyl)urea (CID 604054) is 1-butyl-3-(2-phenoxyphenyl)urea.
What is the SMILES notation for 1-butyl-3-(2-phenoxyphenyl)urea?
The canonical SMILES for 1-butyl-3-(2-phenoxyphenyl)urea is CCCCNC(=O)Nc1ccccc1Oc1ccccc1.
What is the InChIKey of 1-butyl-3-(2-phenoxyphenyl)urea?
The InChIKey is BLJLVIBUXXHCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-2-3-13-18-17(20)19-15-11-7-8-12-16(15)21-14-9-5-4-6-10-14/h4-12H,2-3,13H2,1H3,(H2,18,19,20).
What are the key properties of 1-butyl-3-(2-phenoxyphenyl)urea?
1-butyl-3-(2-phenoxyphenyl)urea has a molecular weight of 284.36 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(2-phenoxyphenyl)urea is sourced from PubChem (CID 604054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).