3-[[2-(methoxymethyl)phenyl]methyl]-1-[(6-methoxynaphthalen-2-yl)methyl]-1-methylurea

C23H26N2O3 — CID 46594171

IUPAC3-[[2-(methoxymethyl)phenyl]methyl]-1-[(6-methoxynaphthalen-2-yl)methyl]-1-methylurea
SMILESCOCc1ccccc1CNC(=O)N(C)Cc1ccc2cc(OC)ccc2c1
InChIInChI=1S/C23H26N2O3/c1-25(23(26)24-14-20-6-4-5-7-21(20)16-27-2)15-17-8-9-19-13-22(28-3)11-10-18(19)12-17/h4-13H,14-16H2,1-3H3,(H,24,26)
InChIKeyXQDCHBKABLRZIZ-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.34
Rot. Bonds7

About 3-[[2-(methoxymethyl)phenyl]methyl]-1-[(6-methoxynaphthalen-2-yl)methyl]-1-methylurea

3-[[2-(methoxymethyl)phenyl]methyl]-1-[(6-methoxynaphthalen-2-yl)methyl]-1-methylurea (PubChem CID 46594171) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 3-[[2-(methoxymethyl)phenyl]methyl]-1-[(6-methoxynaphthalen-2-yl)methyl]-1-methylurea.

Molecular Properties

Compound Name3-[[2-(methoxymethyl)phenyl]methyl]-1-[(6-methoxynaphthalen-2-yl)methyl]-1-methylurea
PubChem CID46594171
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name3-[[2-(methoxymethyl)phenyl]methyl]-1-[(6-methoxynaphthalen-2-yl)methyl]-1-methylurea
SMILESCOCc1ccccc1CNC(=O)N(C)Cc1ccc2cc(OC)ccc2c1
InChIInChI=1S/C23H26N2O3/c1-25(23(26)24-14-20-6-4-5-7-21(20)16-27-2)15-17-8-9-19-13-22(28-3)11-10-18(19)12-17/h4-13H,14-16H2,1-3H3,(H,24,26)
InChIKeyXQDCHBKABLRZIZ-UHFFFAOYSA-N
XLogP4.34
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(ethoxymethyl)phenyl]methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 35628426
1-[(3-methoxyphenyl)methyl]-1-methyl-3-[[2-(methylsulfamoylmethyl)phenyl]methyl]urea
CID 9266277
3-[(3-methoxyphenyl)methyl]-1-methyl-1-(naphthalen-1-ylmethyl)urea
CID 86999385
3-[2-(4-fluorophenoxy)ethyl]-1-[(6-methoxynaphthalen-2-yl)methyl]-1-methylurea
CID 46596303
2-hydroxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
CID 115140024
3-ethyl-1-methyl-1-(naphthalen-2-ylmethyl)urea
CID 34711127
3-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-N,N-dimethylpropanamide
CID 87007745
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylquinoline-2-carboxamide
CID 9482645
2,4-dimethoxy-N-methyl-N-(naphthalen-2-ylmethyl)benzamide
CID 18115021
2-ethoxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide
CID 18116979
1-[(2-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1-methylurea
CID 38148280
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[(2-methoxyphenyl)methyl]-1-methylurea
CID 38149909

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(methoxymethyl)phenyl]methyl]-1-[(6-methoxynaphthalen-2-yl)methyl]-1-methylurea?
The IUPAC name of 3-[[2-(methoxymethyl)phenyl]methyl]-1-[(6-methoxynaphthalen-2-yl)methyl]-1-methylurea (CID 46594171) is 3-[[2-(methoxymethyl)phenyl]methyl]-1-[(6-methoxynaphthalen-2-yl)methyl]-1-methylurea.
What is the SMILES notation for 3-[[2-(methoxymethyl)phenyl]methyl]-1-[(6-methoxynaphthalen-2-yl)methyl]-1-methylurea?
The canonical SMILES for 3-[[2-(methoxymethyl)phenyl]methyl]-1-[(6-methoxynaphthalen-2-yl)methyl]-1-methylurea is COCc1ccccc1CNC(=O)N(C)Cc1ccc2cc(OC)ccc2c1.
What is the InChIKey of 3-[[2-(methoxymethyl)phenyl]methyl]-1-[(6-methoxynaphthalen-2-yl)methyl]-1-methylurea?
The InChIKey is XQDCHBKABLRZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-25(23(26)24-14-20-6-4-5-7-21(20)16-27-2)15-17-8-9-19-13-22(28-3)11-10-18(19)12-17/h4-13H,14-16H2,1-3H3,(H,24,26).
What are the key properties of 3-[[2-(methoxymethyl)phenyl]methyl]-1-[(6-methoxynaphthalen-2-yl)methyl]-1-methylurea?
3-[[2-(methoxymethyl)phenyl]methyl]-1-[(6-methoxynaphthalen-2-yl)methyl]-1-methylurea has a molecular weight of 378.47 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(methoxymethyl)phenyl]methyl]-1-[(6-methoxynaphthalen-2-yl)methyl]-1-methylurea is sourced from PubChem (CID 46594171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).