3-[(2,6-difluoro-3-methylphenyl)methyl]-1-[(3-ethoxy-4-methoxyphenyl)methyl]-1-methylurea

C20H24F2N2O3 — CID 119072115

IUPAC3-[(2,6-difluoro-3-methylphenyl)methyl]-1-[(3-ethoxy-4-methoxyphenyl)methyl]-1-methylurea
SMILESCCOc1cc(CN(C)C(=O)NCc2c(F)ccc(C)c2F)ccc1OC
InChIInChI=1S/C20H24F2N2O3/c1-5-27-18-10-14(7-9-17(18)26-4)12-24(3)20(25)23-11-15-16(21)8-6-13(2)19(15)22/h6-10H,5,11-12H2,1-4H3,(H,23,25)
InChIKeyKMFMQOXQYCLGPM-UHFFFAOYSA-N
MW378.42 g/mol
LogP4.02
Rot. Bonds7

About 3-[(2,6-difluoro-3-methylphenyl)methyl]-1-[(3-ethoxy-4-methoxyphenyl)methyl]-1-methylurea

3-[(2,6-difluoro-3-methylphenyl)methyl]-1-[(3-ethoxy-4-methoxyphenyl)methyl]-1-methylurea (PubChem CID 119072115) has the molecular formula C20H24F2N2O3 and a molecular weight of 378.42 g/mol. Its IUPAC name is 3-[(2,6-difluoro-3-methylphenyl)methyl]-1-[(3-ethoxy-4-methoxyphenyl)methyl]-1-methylurea.

Molecular Properties

Compound Name3-[(2,6-difluoro-3-methylphenyl)methyl]-1-[(3-ethoxy-4-methoxyphenyl)methyl]-1-methylurea
PubChem CID119072115
Molecular FormulaC20H24F2N2O3
Molecular Weight378.42 g/mol
Exact Mass378.18
IUPAC Name3-[(2,6-difluoro-3-methylphenyl)methyl]-1-[(3-ethoxy-4-methoxyphenyl)methyl]-1-methylurea
SMILESCCOc1cc(CN(C)C(=O)NCc2c(F)ccc(C)c2F)ccc1OC
InChIInChI=1S/C20H24F2N2O3/c1-5-27-18-10-14(7-9-17(18)26-4)12-24(3)20(25)23-11-15-16(21)8-6-13(2)19(15)22/h6-10H,5,11-12H2,1-4H3,(H,23,25)
InChIKeyKMFMQOXQYCLGPM-UHFFFAOYSA-N
XLogP4.02
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(2,6-difluoro-3-methylphenyl)methyl]-1-[(3-ethoxy-4-methoxyphenyl)methyl]-1-methylurea with MolForge

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Related Compounds

1-[(3-fluoro-4-methoxyphenyl)methyl]-1-methyl-3-[(3-methylthiophen-2-yl)methyl]urea
CID 33421791
3-[(5-chloro-2-methoxyphenyl)methyl]-1-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylurea
CID 87008091
3-[(3-ethoxy-4-methoxyphenyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122002239
2-[(3-ethoxy-4-methoxyphenyl)methylamino]-N-ethyl-N-methylacetamide
CID 104923342
2-(3-ethoxy-4-methoxyphenyl)ethylcarbamic acid
CID 16638088
1-(3-ethoxy-4-methoxyphenyl)-N,N-dimethylmethanamine
CID 142063671
2-ethoxy-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
CID 78796966
1-[(3-fluoro-4-methoxyphenyl)methyl]-1-methyl-3-[(4-propan-2-yloxyphenyl)methyl]urea
CID 94054624
2-(2,6-dioxo-1,3-diazinan-1-yl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-N-methylacetamide
CID 72918814
1-[(3-fluoro-4-methoxyphenyl)methyl]-1-methyl-3-(4-methylpentyl)urea
CID 134006475
1-[(3-chlorophenyl)methyl]-3-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-1-methylurea
CID 38326031
N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
CID 4717500

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-difluoro-3-methylphenyl)methyl]-1-[(3-ethoxy-4-methoxyphenyl)methyl]-1-methylurea?
The IUPAC name of 3-[(2,6-difluoro-3-methylphenyl)methyl]-1-[(3-ethoxy-4-methoxyphenyl)methyl]-1-methylurea (CID 119072115) is 3-[(2,6-difluoro-3-methylphenyl)methyl]-1-[(3-ethoxy-4-methoxyphenyl)methyl]-1-methylurea.
What is the SMILES notation for 3-[(2,6-difluoro-3-methylphenyl)methyl]-1-[(3-ethoxy-4-methoxyphenyl)methyl]-1-methylurea?
The canonical SMILES for 3-[(2,6-difluoro-3-methylphenyl)methyl]-1-[(3-ethoxy-4-methoxyphenyl)methyl]-1-methylurea is CCOc1cc(CN(C)C(=O)NCc2c(F)ccc(C)c2F)ccc1OC.
What is the InChIKey of 3-[(2,6-difluoro-3-methylphenyl)methyl]-1-[(3-ethoxy-4-methoxyphenyl)methyl]-1-methylurea?
The InChIKey is KMFMQOXQYCLGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2O3/c1-5-27-18-10-14(7-9-17(18)26-4)12-24(3)20(25)23-11-15-16(21)8-6-13(2)19(15)22/h6-10H,5,11-12H2,1-4H3,(H,23,25).
What are the key properties of 3-[(2,6-difluoro-3-methylphenyl)methyl]-1-[(3-ethoxy-4-methoxyphenyl)methyl]-1-methylurea?
3-[(2,6-difluoro-3-methylphenyl)methyl]-1-[(3-ethoxy-4-methoxyphenyl)methyl]-1-methylurea has a molecular weight of 378.42 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-difluoro-3-methylphenyl)methyl]-1-[(3-ethoxy-4-methoxyphenyl)methyl]-1-methylurea is sourced from PubChem (CID 119072115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).