3-[(3-methoxyphenyl)methyl]-1-methyl-1-(naphthalen-1-ylmethyl)urea

C21H22N2O2 — CID 86999385

IUPAC3-[(3-methoxyphenyl)methyl]-1-methyl-1-(naphthalen-1-ylmethyl)urea
SMILESCOc1cccc(CNC(=O)N(C)Cc2cccc3ccccc23)c1
InChIInChI=1S/C21H22N2O2/c1-23(15-18-10-6-9-17-8-3-4-12-20(17)18)21(24)22-14-16-7-5-11-19(13-16)25-2/h3-13H,14-15H2,1-2H3,(H,22,24)
InChIKeyZILAZNPQXBRAHZ-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.19
Rot. Bonds5

About 3-[(3-methoxyphenyl)methyl]-1-methyl-1-(naphthalen-1-ylmethyl)urea

3-[(3-methoxyphenyl)methyl]-1-methyl-1-(naphthalen-1-ylmethyl)urea (PubChem CID 86999385) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-[(3-methoxyphenyl)methyl]-1-methyl-1-(naphthalen-1-ylmethyl)urea.

Molecular Properties

Compound Name3-[(3-methoxyphenyl)methyl]-1-methyl-1-(naphthalen-1-ylmethyl)urea
PubChem CID86999385
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name3-[(3-methoxyphenyl)methyl]-1-methyl-1-(naphthalen-1-ylmethyl)urea
SMILESCOc1cccc(CNC(=O)N(C)Cc2cccc3ccccc23)c1
InChIInChI=1S/C21H22N2O2/c1-23(15-18-10-6-9-17-8-3-4-12-20(17)18)21(24)22-14-16-7-5-11-19(13-16)25-2/h3-13H,14-15H2,1-2H3,(H,22,24)
InChIKeyZILAZNPQXBRAHZ-UHFFFAOYSA-N
XLogP4.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1-methylurea
CID 38148280
N-[(3-methoxyphenyl)methyl]-2-naphthalen-1-ylacetamide
CID 2086540
2-[(3-methoxyphenyl)methylcarbamoyl-methylamino]acetic acid
CID 54910960
3-[[[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]methyl]benzamide
CID 134006466
1,1-dibenzyl-3-[(3-methoxyphenyl)methyl]urea
CID 108898350
3-(2-methoxy-2-methylpropyl)-1-methyl-1-(naphthalen-1-ylmethyl)urea
CID 119073868
3-[(3-methoxyphenyl)methyl]-1-methyl-1-[(3-methylthiophen-2-yl)methyl]urea
CID 27517905
1-[(3-methoxyphenyl)methyl]-1-methyl-3-[[2-(methylsulfamoylmethyl)phenyl]methyl]urea
CID 9266277
1-ethyl-3-[(3-methoxyphenyl)methyl]-1-[(2-methylphenyl)methyl]urea
CID 86984495
3-[(2,5-dimethylfuran-3-yl)methyl]-1-methyl-1-(naphthalen-1-ylmethyl)urea
CID 86952421
N-[(3-methoxyphenyl)methyl]-2-naphthalen-2-yloxypropanamide
CID 53282955
N-[(2-hydroxyphenyl)methyl]-2-(3-methoxyphenyl)acetamide
CID 115598846

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxyphenyl)methyl]-1-methyl-1-(naphthalen-1-ylmethyl)urea?
The IUPAC name of 3-[(3-methoxyphenyl)methyl]-1-methyl-1-(naphthalen-1-ylmethyl)urea (CID 86999385) is 3-[(3-methoxyphenyl)methyl]-1-methyl-1-(naphthalen-1-ylmethyl)urea.
What is the SMILES notation for 3-[(3-methoxyphenyl)methyl]-1-methyl-1-(naphthalen-1-ylmethyl)urea?
The canonical SMILES for 3-[(3-methoxyphenyl)methyl]-1-methyl-1-(naphthalen-1-ylmethyl)urea is COc1cccc(CNC(=O)N(C)Cc2cccc3ccccc23)c1.
What is the InChIKey of 3-[(3-methoxyphenyl)methyl]-1-methyl-1-(naphthalen-1-ylmethyl)urea?
The InChIKey is ZILAZNPQXBRAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-23(15-18-10-6-9-17-8-3-4-12-20(17)18)21(24)22-14-16-7-5-11-19(13-16)25-2/h3-13H,14-15H2,1-2H3,(H,22,24).
What are the key properties of 3-[(3-methoxyphenyl)methyl]-1-methyl-1-(naphthalen-1-ylmethyl)urea?
3-[(3-methoxyphenyl)methyl]-1-methyl-1-(naphthalen-1-ylmethyl)urea has a molecular weight of 334.42 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxyphenyl)methyl]-1-methyl-1-(naphthalen-1-ylmethyl)urea is sourced from PubChem (CID 86999385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).