1-(4-phenoxybutyl)-3-phenylurea

C17H20N2O2 — CID 19353776

IUPAC1-(4-phenoxybutyl)-3-phenylurea
SMILESO=C(NCCCCOc1ccccc1)Nc1ccccc1
InChIInChI=1S/C17H20N2O2/c20-17(19-15-9-3-1-4-10-15)18-13-7-8-14-21-16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2,(H2,18,19,20)
InChIKeySLUDMCBYHOWVLF-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.67
Rot. Bonds7

About 1-(4-phenoxybutyl)-3-phenylurea

1-(4-phenoxybutyl)-3-phenylurea (PubChem CID 19353776) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(4-phenoxybutyl)-3-phenylurea.

Molecular Properties

Compound Name1-(4-phenoxybutyl)-3-phenylurea
PubChem CID19353776
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-(4-phenoxybutyl)-3-phenylurea
SMILESO=C(NCCCCOc1ccccc1)Nc1ccccc1
InChIInChI=1S/C17H20N2O2/c20-17(19-15-9-3-1-4-10-15)18-13-7-8-14-21-16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2,(H2,18,19,20)
InChIKeySLUDMCBYHOWVLF-UHFFFAOYSA-N
XLogP3.67
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.67
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

N-[3-(3-phenoxypropylcarbamoylamino)phenyl]acetamide
CID 108883171
1-(4-nitrophenyl)-3-(3-phenoxypropyl)urea
CID 108883092
1-(4-fluorophenyl)-3-(2-phenoxyethyl)urea
CID 27870148
1-(2-phenoxyethyl)-3-(4-phenylmethoxyphenyl)urea
CID 112969756
1-(4-phenylphenyl)-3-(3-pyridin-4-yloxypropyl)urea
CID 166219931
1-dodecyl-3-phenylurea
CID 3697946
3-(phenylcarbamoylamino)propane-1-sulfonic acid
CID 88585167
1-[3-(2-methoxyphenoxy)propyl]-3-phenylurea
CID 91538470
1-[4-(2-methoxyethoxy)phenyl]-3-pentylurea
CID 47202619
1-[6-(4-chlorophenoxy)hexyl]-3-pyridin-4-ylurea
CID 67416108
1-(11-phenoxyundecyl)-3-pyridin-4-ylthiourea
CID 23296337
1-phenyl-3-[4-(pyridin-2-ylamino)butyl]urea
CID 51108284

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenoxybutyl)-3-phenylurea?
The IUPAC name of 1-(4-phenoxybutyl)-3-phenylurea (CID 19353776) is 1-(4-phenoxybutyl)-3-phenylurea.
What is the SMILES notation for 1-(4-phenoxybutyl)-3-phenylurea?
The canonical SMILES for 1-(4-phenoxybutyl)-3-phenylurea is O=C(NCCCCOc1ccccc1)Nc1ccccc1.
What is the InChIKey of 1-(4-phenoxybutyl)-3-phenylurea?
The InChIKey is SLUDMCBYHOWVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c20-17(19-15-9-3-1-4-10-15)18-13-7-8-14-21-16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2,(H2,18,19,20).
What are the key properties of 1-(4-phenoxybutyl)-3-phenylurea?
1-(4-phenoxybutyl)-3-phenylurea has a molecular weight of 284.36 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenoxybutyl)-3-phenylurea is sourced from PubChem (CID 19353776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).