3-ethyl-1-hydroxy-1-[(6-phenoxy-2H-chromen-3-yl)methyl]urea

C19H20N2O4 — CID 14971287

IUPAC3-ethyl-1-hydroxy-1-[(6-phenoxy-2H-chromen-3-yl)methyl]urea
SMILESCCNC(=O)N(O)CC1=Cc2cc(Oc3ccccc3)ccc2OC1
InChIInChI=1S/C19H20N2O4/c1-2-20-19(22)21(23)12-14-10-15-11-17(8-9-18(15)24-13-14)25-16-6-4-3-5-7-16/h3-11,23H,2,12-13H2,1H3,(H,20,22)
InChIKeyWHTMYCKABDGZJG-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.68
Rot. Bonds5

About 3-ethyl-1-hydroxy-1-[(6-phenoxy-2H-chromen-3-yl)methyl]urea

3-ethyl-1-hydroxy-1-[(6-phenoxy-2H-chromen-3-yl)methyl]urea (PubChem CID 14971287) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-ethyl-1-hydroxy-1-[(6-phenoxy-2H-chromen-3-yl)methyl]urea.

Molecular Properties

Compound Name3-ethyl-1-hydroxy-1-[(6-phenoxy-2H-chromen-3-yl)methyl]urea
PubChem CID14971287
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name3-ethyl-1-hydroxy-1-[(6-phenoxy-2H-chromen-3-yl)methyl]urea
SMILESCCNC(=O)N(O)CC1=Cc2cc(Oc3ccccc3)ccc2OC1
InChIInChI=1S/C19H20N2O4/c1-2-20-19(22)21(23)12-14-10-15-11-17(8-9-18(15)24-13-14)25-16-6-4-3-5-7-16/h3-11,23H,2,12-13H2,1H3,(H,20,22)
InChIKeyWHTMYCKABDGZJG-UHFFFAOYSA-N
XLogP3.68
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 3-ethyl-1-hydroxy-1-[(6-phenoxy-2H-chromen-3-yl)methyl]urea?
The IUPAC name of 3-ethyl-1-hydroxy-1-[(6-phenoxy-2H-chromen-3-yl)methyl]urea (CID 14971287) is 3-ethyl-1-hydroxy-1-[(6-phenoxy-2H-chromen-3-yl)methyl]urea.
What is the SMILES notation for 3-ethyl-1-hydroxy-1-[(6-phenoxy-2H-chromen-3-yl)methyl]urea?
The canonical SMILES for 3-ethyl-1-hydroxy-1-[(6-phenoxy-2H-chromen-3-yl)methyl]urea is CCNC(=O)N(O)CC1=Cc2cc(Oc3ccccc3)ccc2OC1.
What is the InChIKey of 3-ethyl-1-hydroxy-1-[(6-phenoxy-2H-chromen-3-yl)methyl]urea?
The InChIKey is WHTMYCKABDGZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-2-20-19(22)21(23)12-14-10-15-11-17(8-9-18(15)24-13-14)25-16-6-4-3-5-7-16/h3-11,23H,2,12-13H2,1H3,(H,20,22).
What are the key properties of 3-ethyl-1-hydroxy-1-[(6-phenoxy-2H-chromen-3-yl)methyl]urea?
3-ethyl-1-hydroxy-1-[(6-phenoxy-2H-chromen-3-yl)methyl]urea has a molecular weight of 340.38 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-hydroxy-1-[(6-phenoxy-2H-chromen-3-yl)methyl]urea is sourced from PubChem (CID 14971287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).