1-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]-1,3-dimethylurea

C20H26N2O3 — CID 129038819

IUPAC1-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]-1,3-dimethylurea
SMILESCCOc1cccc(N(C)C(=O)NC)c1COc1ccc(C)cc1C
InChIInChI=1S/C20H26N2O3/c1-6-24-19-9-7-8-17(22(5)20(23)21-4)16(19)13-25-18-11-10-14(2)12-15(18)3/h7-12H,6,13H2,1-5H3,(H,21,23)
InChIKeyDYVKNYJXQVXVBC-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.06
Rot. Bonds6

About 1-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]-1,3-dimethylurea

1-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]-1,3-dimethylurea (PubChem CID 129038819) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]-1,3-dimethylurea.

Molecular Properties

Compound Name1-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]-1,3-dimethylurea
PubChem CID129038819
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name1-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]-1,3-dimethylurea
SMILESCCOc1cccc(N(C)C(=O)NC)c1COc1ccc(C)cc1C
InChIInChI=1S/C20H26N2O3/c1-6-24-19-9-7-8-17(22(5)20(23)21-4)16(19)13-25-18-11-10-14(2)12-15(18)3/h7-12H,6,13H2,1-5H3,(H,21,23)
InChIKeyDYVKNYJXQVXVBC-UHFFFAOYSA-N
XLogP4.06
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]-N-methylpropanamide
CID 129038967
1-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]-3-methylurea
CID 129038787
1-[3-chloro-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-1,3-dimethylurea
CID 126588813
N-[2-[(2,4-dimethylphenoxy)methyl]-3-(hydroxymethyl)phenyl]-N-methylpropanamide
CID 129039032
[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl] methylsulfanylformate
CID 122646167
methyl N-[2-[(2-bromo-4-methylphenoxy)methyl]-3-ethoxyphenyl]-N-hydroxycarbamate
CID 129038907
2-[3-ethoxy-2-[(2-fluoro-4-methylphenoxy)methyl]phenyl]-N-methylacetamide
CID 129039243
[2-[(2,4-dimethylphenoxy)methyl]-3-(sulfanylmethyl)phenyl] N-methylcarbamate
CID 122646178
O-[2-[(2,4-dimethylphenoxy)methyl]-3-methylphenyl] N-methylcarbamothioate
CID 122646183
methyl 2-[3-ethoxy-2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]acetate
CID 129039214
1-[3-bromo-2-[(2,4-dimethylphenoxy)methyl]phenyl]-3-methylurea
CID 129038805
methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-(hydroxymethyl)phenyl]-N-hydroxycarbamate
CID 129038801

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]-1,3-dimethylurea?
The IUPAC name of 1-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]-1,3-dimethylurea (CID 129038819) is 1-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]-1,3-dimethylurea.
What is the SMILES notation for 1-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]-1,3-dimethylurea?
The canonical SMILES for 1-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]-1,3-dimethylurea is CCOc1cccc(N(C)C(=O)NC)c1COc1ccc(C)cc1C.
What is the InChIKey of 1-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]-1,3-dimethylurea?
The InChIKey is DYVKNYJXQVXVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-6-24-19-9-7-8-17(22(5)20(23)21-4)16(19)13-25-18-11-10-14(2)12-15(18)3/h7-12H,6,13H2,1-5H3,(H,21,23).
What are the key properties of 1-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]-1,3-dimethylurea?
1-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]-1,3-dimethylurea has a molecular weight of 342.44 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]-1,3-dimethylurea is sourced from PubChem (CID 129038819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).