1-(2-methoxyethoxymethyl)-3-naphthalen-2-ylurea

C15H18N2O3 — CID 108894459

IUPAC1-(2-methoxyethoxymethyl)-3-naphthalen-2-ylurea
SMILESCOCCOCNC(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C15H18N2O3/c1-19-8-9-20-11-16-15(18)17-14-7-6-12-4-2-3-5-13(12)10-14/h2-7,10H,8-9,11H2,1H3,(H2,16,17,18)
InChIKeyHRVAHHIQXXXWTG-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.58
Rot. Bonds6

About 1-(2-methoxyethoxymethyl)-3-naphthalen-2-ylurea

1-(2-methoxyethoxymethyl)-3-naphthalen-2-ylurea (PubChem CID 108894459) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-(2-methoxyethoxymethyl)-3-naphthalen-2-ylurea.

Molecular Properties

Compound Name1-(2-methoxyethoxymethyl)-3-naphthalen-2-ylurea
PubChem CID108894459
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-(2-methoxyethoxymethyl)-3-naphthalen-2-ylurea
SMILESCOCCOCNC(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C15H18N2O3/c1-19-8-9-20-11-16-15(18)17-14-7-6-12-4-2-3-5-13(12)10-14/h2-7,10H,8-9,11H2,1H3,(H2,16,17,18)
InChIKeyHRVAHHIQXXXWTG-UHFFFAOYSA-N
XLogP2.58
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[3-[2-methoxyethyl(methyl)amino]propyl]-3-naphthalen-2-ylurea
CID 78871672
1-(4-bromophenyl)-3-(2-methoxyethoxymethyl)urea
CID 108894240
4-(2-methoxyethoxy)-N-naphthalen-2-ylbenzamide
CID 17232007
1-methyl-3-naphthalen-2-ylurea
CID 3454681
1-[(3,4-dimethoxyphenyl)methyl]-3-naphthalen-2-ylurea
CID 38167516
1-(3-hydroxybutyl)-3-naphthalen-2-ylurea
CID 111336742
1-(2-methoxyethoxymethyl)-3-(4-sulfamoylphenyl)urea
CID 108894310
3-(naphthalen-2-ylcarbamoylamino)propanamide
CID 23023573
1-[3-(4-tert-butylphenoxy)propyl]-3-naphthalen-2-ylurea
CID 108882865
2-amino-5-methoxy-N-naphthalen-2-ylpentanamide
CID 81083067
1-(2-methoxyethoxy)-3-(naphthalen-2-ylamino)propan-2-ol
CID 106989395
2-[(naphthalen-2-ylcarbamoylamino)methyl]butanoic acid
CID 65222360

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxymethyl)-3-naphthalen-2-ylurea?
The IUPAC name of 1-(2-methoxyethoxymethyl)-3-naphthalen-2-ylurea (CID 108894459) is 1-(2-methoxyethoxymethyl)-3-naphthalen-2-ylurea.
What is the SMILES notation for 1-(2-methoxyethoxymethyl)-3-naphthalen-2-ylurea?
The canonical SMILES for 1-(2-methoxyethoxymethyl)-3-naphthalen-2-ylurea is COCCOCNC(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of 1-(2-methoxyethoxymethyl)-3-naphthalen-2-ylurea?
The InChIKey is HRVAHHIQXXXWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-19-8-9-20-11-16-15(18)17-14-7-6-12-4-2-3-5-13(12)10-14/h2-7,10H,8-9,11H2,1H3,(H2,16,17,18).
What are the key properties of 1-(2-methoxyethoxymethyl)-3-naphthalen-2-ylurea?
1-(2-methoxyethoxymethyl)-3-naphthalen-2-ylurea has a molecular weight of 274.32 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxymethyl)-3-naphthalen-2-ylurea is sourced from PubChem (CID 108894459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).