1-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-1,3-dimethylurea

C14H22N2O3 — CID 115169490

IUPAC1-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-1,3-dimethylurea
SMILESCNC(=O)N(C)CCc1cc(OC)c(C)cc1OC
InChIInChI=1S/C14H22N2O3/c1-10-8-13(19-5)11(9-12(10)18-4)6-7-16(3)14(17)15-2/h8-9H,6-7H2,1-5H3,(H,15,17)
InChIKeyAHSBUEUIISQSRD-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.83
Rot. Bonds5

About 1-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-1,3-dimethylurea

1-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-1,3-dimethylurea (PubChem CID 115169490) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-1,3-dimethylurea.

Molecular Properties

Compound Name1-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-1,3-dimethylurea
PubChem CID115169490
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-1,3-dimethylurea
SMILESCNC(=O)N(C)CCc1cc(OC)c(C)cc1OC
InChIInChI=1S/C14H22N2O3/c1-10-8-13(19-5)11(9-12(10)18-4)6-7-16(3)14(17)15-2/h8-9H,6-7H2,1-5H3,(H,15,17)
InChIKeyAHSBUEUIISQSRD-UHFFFAOYSA-N
XLogP1.83
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]-N-methylacetamide
CID 115140161
N'-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-N,N'-dimethylethane-1,2-diamine
CID 115196106
1-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-1,3-dimethylurea
CID 115169536
2-(4-methoxy-2,5-dimethylphenyl)ethyl-methylcarbamothioic S-acid
CID 115170407
N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-N-methylcarbamoyl bromide
CID 115194111
1-[3-(2,5-dimethoxy-4-methylphenyl)propyl]-2,5-dimethoxy-4-methylbenzene
CID 4096780
N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-2-hydroxyacetamide
CID 115140079
methyl 2-amino-4-(2,5-dimethoxy-4-methylphenyl)butanoate
CID 116851493
[2-(2,5-dimethoxy-4-methylphenyl)ethylamino]methanol
CID 115229328
3-amino-1-methyl-1-[2-(2,4,5-trimethylphenyl)ethyl]urea
CID 115193053
N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 165361972
3-amino-1-[2-(5-chloro-2-methoxyphenyl)ethyl]-1-methylurea
CID 115193010

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-1,3-dimethylurea?
The IUPAC name of 1-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-1,3-dimethylurea (CID 115169490) is 1-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-1,3-dimethylurea.
What is the SMILES notation for 1-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-1,3-dimethylurea?
The canonical SMILES for 1-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-1,3-dimethylurea is CNC(=O)N(C)CCc1cc(OC)c(C)cc1OC.
What is the InChIKey of 1-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-1,3-dimethylurea?
The InChIKey is AHSBUEUIISQSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10-8-13(19-5)11(9-12(10)18-4)6-7-16(3)14(17)15-2/h8-9H,6-7H2,1-5H3,(H,15,17).
What are the key properties of 1-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-1,3-dimethylurea?
1-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-1,3-dimethylurea has a molecular weight of 266.34 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-1,3-dimethylurea is sourced from PubChem (CID 115169490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).