1-[(2S)-2-hydroxy-2-(5-methylfuran-2-yl)ethyl]-3-(2-phenoxyethyl)urea

C16H20N2O4 — CID 95986095

IUPAC1-[(2S)-2-hydroxy-2-(5-methylfuran-2-yl)ethyl]-3-(2-phenoxyethyl)urea
SMILESCc1ccc([C@@H](O)CNC(=O)NCCOc2ccccc2)o1
InChIInChI=1S/C16H20N2O4/c1-12-7-8-15(22-12)14(19)11-18-16(20)17-9-10-21-13-5-3-2-4-6-13/h2-8,14,19H,9-11H2,1H3,(H2,17,18,20)/t14-/m0/s1
InChIKeyHZWGEHWWJKRENV-AWEZNQCLSA-N
MW304.35 g/mol
LogP2.00
Rot. Bonds7

About 1-[(2S)-2-hydroxy-2-(5-methylfuran-2-yl)ethyl]-3-(2-phenoxyethyl)urea

1-[(2S)-2-hydroxy-2-(5-methylfuran-2-yl)ethyl]-3-(2-phenoxyethyl)urea (PubChem CID 95986095) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-[(2S)-2-hydroxy-2-(5-methylfuran-2-yl)ethyl]-3-(2-phenoxyethyl)urea.

Molecular Properties

Compound Name1-[(2S)-2-hydroxy-2-(5-methylfuran-2-yl)ethyl]-3-(2-phenoxyethyl)urea
PubChem CID95986095
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name1-[(2S)-2-hydroxy-2-(5-methylfuran-2-yl)ethyl]-3-(2-phenoxyethyl)urea
SMILESCc1ccc([C@@H](O)CNC(=O)NCCOc2ccccc2)o1
InChIInChI=1S/C16H20N2O4/c1-12-7-8-15(22-12)14(19)11-18-16(20)17-9-10-21-13-5-3-2-4-6-13/h2-8,14,19H,9-11H2,1H3,(H2,17,18,20)/t14-/m0/s1
InChIKeyHZWGEHWWJKRENV-AWEZNQCLSA-N
XLogP2.00
TPSA83.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-hydroxy-2-(5-methylfuran-2-yl)ethyl]-3-(2-phenoxyethyl)urea?
The IUPAC name of 1-[(2S)-2-hydroxy-2-(5-methylfuran-2-yl)ethyl]-3-(2-phenoxyethyl)urea (CID 95986095) is 1-[(2S)-2-hydroxy-2-(5-methylfuran-2-yl)ethyl]-3-(2-phenoxyethyl)urea.
What is the SMILES notation for 1-[(2S)-2-hydroxy-2-(5-methylfuran-2-yl)ethyl]-3-(2-phenoxyethyl)urea?
The canonical SMILES for 1-[(2S)-2-hydroxy-2-(5-methylfuran-2-yl)ethyl]-3-(2-phenoxyethyl)urea is Cc1ccc([C@@H](O)CNC(=O)NCCOc2ccccc2)o1.
What is the InChIKey of 1-[(2S)-2-hydroxy-2-(5-methylfuran-2-yl)ethyl]-3-(2-phenoxyethyl)urea?
The InChIKey is HZWGEHWWJKRENV-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-12-7-8-15(22-12)14(19)11-18-16(20)17-9-10-21-13-5-3-2-4-6-13/h2-8,14,19H,9-11H2,1H3,(H2,17,18,20)/t14-/m0/s1.
What are the key properties of 1-[(2S)-2-hydroxy-2-(5-methylfuran-2-yl)ethyl]-3-(2-phenoxyethyl)urea?
1-[(2S)-2-hydroxy-2-(5-methylfuran-2-yl)ethyl]-3-(2-phenoxyethyl)urea has a molecular weight of 304.35 g/mol, XLogP of 2.00, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-hydroxy-2-(5-methylfuran-2-yl)ethyl]-3-(2-phenoxyethyl)urea is sourced from PubChem (CID 95986095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).