1-hydroxy-1-[(6-methoxynaphthalen-2-yl)methyl]urea

C13H14N2O3 — CID 19780510

IUPAC1-hydroxy-1-[(6-methoxynaphthalen-2-yl)methyl]urea
SMILESCOc1ccc2cc(CN(O)C(N)=O)ccc2c1
InChIInChI=1S/C13H14N2O3/c1-18-12-5-4-10-6-9(2-3-11(10)7-12)8-15(17)13(14)16/h2-7,17H,8H2,1H3,(H2,14,16)
InChIKeyORIXECVDHRMFPH-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.12
Rot. Bonds3

About 1-hydroxy-1-[(6-methoxynaphthalen-2-yl)methyl]urea

1-hydroxy-1-[(6-methoxynaphthalen-2-yl)methyl]urea (PubChem CID 19780510) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-hydroxy-1-[(6-methoxynaphthalen-2-yl)methyl]urea.

Molecular Properties

Compound Name1-hydroxy-1-[(6-methoxynaphthalen-2-yl)methyl]urea
PubChem CID19780510
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name1-hydroxy-1-[(6-methoxynaphthalen-2-yl)methyl]urea
SMILESCOc1ccc2cc(CN(O)C(N)=O)ccc2c1
InChIInChI=1S/C13H14N2O3/c1-18-12-5-4-10-6-9(2-3-11(10)7-12)8-15(17)13(14)16/h2-7,17H,8H2,1H3,(H2,14,16)
InChIKeyORIXECVDHRMFPH-UHFFFAOYSA-N
XLogP2.12
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.12
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

2-hydroxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
CID 115140024
(2R)-2-amino-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylpropanamide
CID 119272237
ethane;1-(6-methoxynaphthalen-2-yl)-N,N-dimethylmethanamine
CID 142950158
methyl (2S)-2-amino-3-(6-methoxynaphthalen-2-yl)propanoate
CID 171238349
[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 4-methoxybenzoate
CID 9011158
(2R)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N,N-dimethylpropanamide
CID 8925163
2-[(6-methoxynaphthalen-2-yl)methyl-propylamino]acetic acid
CID 65064840
(2R)-2-(4-fluorophenyl)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide
CID 31882368
ethyl 2-(6-methoxynaphthalen-2-yl)acetate
CID 11265053
2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]butanoic acid
CID 65068401
1-(6-methoxynaphthalen-2-yl)propan-2-one;propane
CID 144625735
1-[[4-[7-[4-[[carbamoyl(hydroxy)amino]methyl]phenoxy]heptoxy]phenyl]methyl]-1-hydroxyurea
CID 54502989

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-[(6-methoxynaphthalen-2-yl)methyl]urea?
The IUPAC name of 1-hydroxy-1-[(6-methoxynaphthalen-2-yl)methyl]urea (CID 19780510) is 1-hydroxy-1-[(6-methoxynaphthalen-2-yl)methyl]urea.
What is the SMILES notation for 1-hydroxy-1-[(6-methoxynaphthalen-2-yl)methyl]urea?
The canonical SMILES for 1-hydroxy-1-[(6-methoxynaphthalen-2-yl)methyl]urea is COc1ccc2cc(CN(O)C(N)=O)ccc2c1.
What is the InChIKey of 1-hydroxy-1-[(6-methoxynaphthalen-2-yl)methyl]urea?
The InChIKey is ORIXECVDHRMFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-18-12-5-4-10-6-9(2-3-11(10)7-12)8-15(17)13(14)16/h2-7,17H,8H2,1H3,(H2,14,16).
What are the key properties of 1-hydroxy-1-[(6-methoxynaphthalen-2-yl)methyl]urea?
1-hydroxy-1-[(6-methoxynaphthalen-2-yl)methyl]urea has a molecular weight of 246.27 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-[(6-methoxynaphthalen-2-yl)methyl]urea is sourced from PubChem (CID 19780510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).