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

C18H18N2O4 — CID 14971286

IUPAC1-hydroxy-3-methyl-1-[(6-phenoxy-2H-chromen-3-yl)methyl]urea
SMILESCNC(=O)N(O)CC1=Cc2cc(Oc3ccccc3)ccc2OC1
InChIInChI=1S/C18H18N2O4/c1-19-18(21)20(22)11-13-9-14-10-16(7-8-17(14)23-12-13)24-15-5-3-2-4-6-15/h2-10,22H,11-12H2,1H3,(H,19,21)
InChIKeyADEXLPGNFPLCCW-UHFFFAOYSA-N
MW326.35 g/mol
LogP3.29
Rot. Bonds4

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

1-hydroxy-3-methyl-1-[(6-phenoxy-2H-chromen-3-yl)methyl]urea (PubChem CID 14971286) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 1-hydroxy-3-methyl-1-[(6-phenoxy-2H-chromen-3-yl)methyl]urea.

Molecular Properties

Compound Name1-hydroxy-3-methyl-1-[(6-phenoxy-2H-chromen-3-yl)methyl]urea
PubChem CID14971286
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name1-hydroxy-3-methyl-1-[(6-phenoxy-2H-chromen-3-yl)methyl]urea
SMILESCNC(=O)N(O)CC1=Cc2cc(Oc3ccccc3)ccc2OC1
InChIInChI=1S/C18H18N2O4/c1-19-18(21)20(22)11-13-9-14-10-16(7-8-17(14)23-12-13)24-15-5-3-2-4-6-15/h2-10,22H,11-12H2,1H3,(H,19,21)
InChIKeyADEXLPGNFPLCCW-UHFFFAOYSA-N
XLogP3.29
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.29
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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-methyl-1-[(6-phenoxy-2H-chromen-3-yl)methyl]urea?
The IUPAC name of 1-hydroxy-3-methyl-1-[(6-phenoxy-2H-chromen-3-yl)methyl]urea (CID 14971286) is 1-hydroxy-3-methyl-1-[(6-phenoxy-2H-chromen-3-yl)methyl]urea.
What is the SMILES notation for 1-hydroxy-3-methyl-1-[(6-phenoxy-2H-chromen-3-yl)methyl]urea?
The canonical SMILES for 1-hydroxy-3-methyl-1-[(6-phenoxy-2H-chromen-3-yl)methyl]urea is CNC(=O)N(O)CC1=Cc2cc(Oc3ccccc3)ccc2OC1.
What is the InChIKey of 1-hydroxy-3-methyl-1-[(6-phenoxy-2H-chromen-3-yl)methyl]urea?
The InChIKey is ADEXLPGNFPLCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-19-18(21)20(22)11-13-9-14-10-16(7-8-17(14)23-12-13)24-15-5-3-2-4-6-15/h2-10,22H,11-12H2,1H3,(H,19,21).
What are the key properties of 1-hydroxy-3-methyl-1-[(6-phenoxy-2H-chromen-3-yl)methyl]urea?
1-hydroxy-3-methyl-1-[(6-phenoxy-2H-chromen-3-yl)methyl]urea has a molecular weight of 326.35 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-methyl-1-[(6-phenoxy-2H-chromen-3-yl)methyl]urea is sourced from PubChem (CID 14971286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).