1-(2-methoxyethyl)-3-(2-methylnaphthalen-1-yl)urea

C15H18N2O2 — CID 75427067

IUPAC1-(2-methoxyethyl)-3-(2-methylnaphthalen-1-yl)urea
SMILESCOCCNC(=O)Nc1c(C)ccc2ccccc12
InChIInChI=1S/C15H18N2O2/c1-11-7-8-12-5-3-4-6-13(12)14(11)17-15(18)16-9-10-19-2/h3-8H,9-10H2,1-2H3,(H2,16,17,18)
InChIKeyVZQMTAOKMAQPPS-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.92
Rot. Bonds4

About 1-(2-methoxyethyl)-3-(2-methylnaphthalen-1-yl)urea

1-(2-methoxyethyl)-3-(2-methylnaphthalen-1-yl)urea (PubChem CID 75427067) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-(2-methylnaphthalen-1-yl)urea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-(2-methylnaphthalen-1-yl)urea
PubChem CID75427067
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-(2-methoxyethyl)-3-(2-methylnaphthalen-1-yl)urea
SMILESCOCCNC(=O)Nc1c(C)ccc2ccccc12
InChIInChI=1S/C15H18N2O2/c1-11-7-8-12-5-3-4-6-13(12)14(11)17-15(18)16-9-10-19-2/h3-8H,9-10H2,1-2H3,(H2,16,17,18)
InChIKeyVZQMTAOKMAQPPS-UHFFFAOYSA-N
XLogP2.92
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(2-methylnaphthalen-1-yl)amino]-2-oxoacetate
CID 126500414
1-(2,6-dimethoxyphenyl)-3-(2-methoxyethyl)urea
CID 108867809
ethyl N-(2-methylnaphthalen-1-yl)carbamate
CID 171853862
1-(3,4-dimethylphenyl)-3-(2-methoxyethyl)urea
CID 47135210
1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-methoxyethyl)urea
CID 47216835
1-(4-hydroxy-2-methylphenyl)-3-(2-methoxyethyl)urea
CID 108890504
1-(2-methoxyethyl)-3-[2-(2-methylphenoxy)phenyl]urea
CID 110426455
N-(2-methylnaphthalen-1-yl)but-2-enamide
CID 154201467
3-chloro-N-(2-methylnaphthalen-1-yl)-1-benzothiophene-2-carboxamide
CID 1117397
1-[1-(methoxymethyl)cyclopropyl]-1-methyl-3-(2-methylnaphthalen-1-yl)urea
CID 72853713
1-(2,4-dimethylphenyl)-3-(2-methoxyethyl)urea
CID 5054028
methyl 2-[(2-methylnaphthalen-1-yl)amino]propanoate
CID 12769770

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-(2-methylnaphthalen-1-yl)urea?
The IUPAC name of 1-(2-methoxyethyl)-3-(2-methylnaphthalen-1-yl)urea (CID 75427067) is 1-(2-methoxyethyl)-3-(2-methylnaphthalen-1-yl)urea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-(2-methylnaphthalen-1-yl)urea?
The canonical SMILES for 1-(2-methoxyethyl)-3-(2-methylnaphthalen-1-yl)urea is COCCNC(=O)Nc1c(C)ccc2ccccc12.
What is the InChIKey of 1-(2-methoxyethyl)-3-(2-methylnaphthalen-1-yl)urea?
The InChIKey is VZQMTAOKMAQPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11-7-8-12-5-3-4-6-13(12)14(11)17-15(18)16-9-10-19-2/h3-8H,9-10H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-(2-methoxyethyl)-3-(2-methylnaphthalen-1-yl)urea?
1-(2-methoxyethyl)-3-(2-methylnaphthalen-1-yl)urea has a molecular weight of 258.32 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-(2-methylnaphthalen-1-yl)urea is sourced from PubChem (CID 75427067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).