1-hydroxy-1-[1-[5-(2,4,6-trimethylphenyl)furan-2-yl]ethyl]urea

C16H20N2O3 — CID 10827210

IUPAC1-hydroxy-1-[1-[5-(2,4,6-trimethylphenyl)furan-2-yl]ethyl]urea
SMILESCc1cc(C)c(-c2ccc(C(C)N(O)C(N)=O)o2)c(C)c1
InChIInChI=1S/C16H20N2O3/c1-9-7-10(2)15(11(3)8-9)14-6-5-13(21-14)12(4)18(20)16(17)19/h5-8,12,20H,1-4H3,(H2,17,19)
InChIKeyUEARNVPQMVHGLQ-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.70
Rot. Bonds3

About 1-hydroxy-1-[1-[5-(2,4,6-trimethylphenyl)furan-2-yl]ethyl]urea

1-hydroxy-1-[1-[5-(2,4,6-trimethylphenyl)furan-2-yl]ethyl]urea (PubChem CID 10827210) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-hydroxy-1-[1-[5-(2,4,6-trimethylphenyl)furan-2-yl]ethyl]urea.

Molecular Properties

Compound Name1-hydroxy-1-[1-[5-(2,4,6-trimethylphenyl)furan-2-yl]ethyl]urea
PubChem CID10827210
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-hydroxy-1-[1-[5-(2,4,6-trimethylphenyl)furan-2-yl]ethyl]urea
SMILESCc1cc(C)c(-c2ccc(C(C)N(O)C(N)=O)o2)c(C)c1
InChIInChI=1S/C16H20N2O3/c1-9-7-10(2)15(11(3)8-9)14-6-5-13(21-14)12(4)18(20)16(17)19/h5-8,12,20H,1-4H3,(H2,17,19)
InChIKeyUEARNVPQMVHGLQ-UHFFFAOYSA-N
XLogP3.70
TPSA79.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.70
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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Related Compounds

N-hydroxy-N-[1-(2-phinyl-5-benzofuranyl)ethyl]urea
CID 9948121
N-[1-(5-butyl-2-furyl)ethyl]-N-hydroxyurea
CID 10513430
N-(1-{5-[(benzyloxy)methyl]-2-furyl}ethyl)-N-hydroxyurea
CID 10755909
N-hydroxy-N-[(5-phenyl-2-furyl)methyl]urea
CID 10823449
N-hydroxy-N-[1-(5-phenyl-2-furyl)ethyl]urea
CID 10847997
N-hydroxy-N-{1-[5-(phenylethynyl)-4,5-dihydrofuran-2-yl]ethyl}urea
CID 44302002
N-[1-(1-benzofuran-2-yl)ethyl]-N-hydroxyurea
CID 10560861
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3,4-dimethylphenyl)acetamide
CID 4883199
2-(5-{1-[(aminocarbonyl)(hydroxy)amino]ethyl}-2-furyl)-N-benzylacetamide
CID 10495686
(E)-N-hydroxy-3-[5-[[(4-phenylphenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]prop-2-enamide
CID 71770195
4-[(carbamoylamino)methyl]-N-cyclopropyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]benzamide
CID 45886427
2-[(2,5-Dimethylphenyl)methylcarbamoylamino]-2-(furan-2-yl)propanoic acid
CID 53514539

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-[1-[5-(2,4,6-trimethylphenyl)furan-2-yl]ethyl]urea?
The IUPAC name of 1-hydroxy-1-[1-[5-(2,4,6-trimethylphenyl)furan-2-yl]ethyl]urea (CID 10827210) is 1-hydroxy-1-[1-[5-(2,4,6-trimethylphenyl)furan-2-yl]ethyl]urea.
What is the SMILES notation for 1-hydroxy-1-[1-[5-(2,4,6-trimethylphenyl)furan-2-yl]ethyl]urea?
The canonical SMILES for 1-hydroxy-1-[1-[5-(2,4,6-trimethylphenyl)furan-2-yl]ethyl]urea is Cc1cc(C)c(-c2ccc(C(C)N(O)C(N)=O)o2)c(C)c1.
What is the InChIKey of 1-hydroxy-1-[1-[5-(2,4,6-trimethylphenyl)furan-2-yl]ethyl]urea?
The InChIKey is UEARNVPQMVHGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-9-7-10(2)15(11(3)8-9)14-6-5-13(21-14)12(4)18(20)16(17)19/h5-8,12,20H,1-4H3,(H2,17,19).
What are the key properties of 1-hydroxy-1-[1-[5-(2,4,6-trimethylphenyl)furan-2-yl]ethyl]urea?
1-hydroxy-1-[1-[5-(2,4,6-trimethylphenyl)furan-2-yl]ethyl]urea has a molecular weight of 288.35 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-[1-[5-(2,4,6-trimethylphenyl)furan-2-yl]ethyl]urea is sourced from PubChem (CID 10827210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).