1-hydroxy-1-[1-(4-phenylmethoxyphenyl)ethyl]urea

C16H18N2O3 — CID 10636949

IUPAC1-hydroxy-1-[1-(4-phenylmethoxyphenyl)ethyl]urea
SMILESCC(c1ccc(OCc2ccccc2)cc1)N(O)C(N)=O
InChIInChI=1S/C16H18N2O3/c1-12(18(20)16(17)19)14-7-9-15(10-8-14)21-11-13-5-3-2-4-6-13/h2-10,12,20H,11H2,1H3,(H2,17,19)
InChIKeyYKNSKHOBTSYEQH-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.10
Rot. Bonds5

About 1-hydroxy-1-[1-(4-phenylmethoxyphenyl)ethyl]urea

1-hydroxy-1-[1-(4-phenylmethoxyphenyl)ethyl]urea (PubChem CID 10636949) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-hydroxy-1-[1-(4-phenylmethoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-hydroxy-1-[1-(4-phenylmethoxyphenyl)ethyl]urea
PubChem CID10636949
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name1-hydroxy-1-[1-(4-phenylmethoxyphenyl)ethyl]urea
SMILESCC(c1ccc(OCc2ccccc2)cc1)N(O)C(N)=O
InChIInChI=1S/C16H18N2O3/c1-12(18(20)16(17)19)14-7-9-15(10-8-14)21-11-13-5-3-2-4-6-13/h2-10,12,20H,11H2,1H3,(H2,17,19)
InChIKeyYKNSKHOBTSYEQH-UHFFFAOYSA-N
XLogP3.10
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-[1-(4-phenylmethoxyphenyl)ethyl]urea?
The IUPAC name of 1-hydroxy-1-[1-(4-phenylmethoxyphenyl)ethyl]urea (CID 10636949) is 1-hydroxy-1-[1-(4-phenylmethoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-hydroxy-1-[1-(4-phenylmethoxyphenyl)ethyl]urea?
The canonical SMILES for 1-hydroxy-1-[1-(4-phenylmethoxyphenyl)ethyl]urea is CC(c1ccc(OCc2ccccc2)cc1)N(O)C(N)=O.
What is the InChIKey of 1-hydroxy-1-[1-(4-phenylmethoxyphenyl)ethyl]urea?
The InChIKey is YKNSKHOBTSYEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-12(18(20)16(17)19)14-7-9-15(10-8-14)21-11-13-5-3-2-4-6-13/h2-10,12,20H,11H2,1H3,(H2,17,19).
What are the key properties of 1-hydroxy-1-[1-(4-phenylmethoxyphenyl)ethyl]urea?
1-hydroxy-1-[1-(4-phenylmethoxyphenyl)ethyl]urea has a molecular weight of 286.33 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-[1-(4-phenylmethoxyphenyl)ethyl]urea is sourced from PubChem (CID 10636949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).