1-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-1,3-dimethylurea

C14H22N2O2 — CID 115169536

IUPAC1-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-1,3-dimethylurea
SMILESCNC(=O)N(C)CCc1cc(C)c(OC)c(C)c1
InChIInChI=1S/C14H22N2O2/c1-10-8-12(9-11(2)13(10)18-5)6-7-16(4)14(17)15-3/h8-9H,6-7H2,1-5H3,(H,15,17)
InChIKeyOORJROLWVUVYQE-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.13
Rot. Bonds4

About 1-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-1,3-dimethylurea

1-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-1,3-dimethylurea (PubChem CID 115169536) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-1,3-dimethylurea.

Molecular Properties

Compound Name1-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-1,3-dimethylurea
PubChem CID115169536
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-1,3-dimethylurea
SMILESCNC(=O)N(C)CCc1cc(C)c(OC)c(C)c1
InChIInChI=1S/C14H22N2O2/c1-10-8-12(9-11(2)13(10)18-5)6-7-16(4)14(17)15-3/h8-9H,6-7H2,1-5H3,(H,15,17)
InChIKeyOORJROLWVUVYQE-UHFFFAOYSA-N
XLogP2.13
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-N'-methyloxamide
CID 115192259
1-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-1,3-dimethylurea
CID 115169490
1-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-3-methylurea
CID 115169411
3-amino-1-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea
CID 115192837
1-[(5-chloro-2-methoxy-3-methylphenyl)methyl]-1,3-dimethylurea
CID 115169247
1,3-dimethyl-1-[(3,4,5-trimethoxyphenyl)methyl]urea
CID 115169295
1-[(4-methoxy-3,5-dimethylphenyl)methyl]-3-methylurea
CID 115169183
1-[2-(3,4-dichlorophenyl)ethyl]-1,3-dimethylurea
CID 115169525
2-(4-methoxy-3,5-dimethylphenyl)ethylurea
CID 115168574
N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]-N-methylcarbamoyl bromide
CID 115194099
N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylhydroxylamine
CID 82606327
2-(4-methoxy-3,5-dimethylphenyl)-N-methylacetohydrazide
CID 116844882

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-1,3-dimethylurea?
The IUPAC name of 1-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-1,3-dimethylurea (CID 115169536) is 1-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-1,3-dimethylurea.
What is the SMILES notation for 1-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-1,3-dimethylurea?
The canonical SMILES for 1-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-1,3-dimethylurea is CNC(=O)N(C)CCc1cc(C)c(OC)c(C)c1.
What is the InChIKey of 1-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-1,3-dimethylurea?
The InChIKey is OORJROLWVUVYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-8-12(9-11(2)13(10)18-5)6-7-16(4)14(17)15-3/h8-9H,6-7H2,1-5H3,(H,15,17).
What are the key properties of 1-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-1,3-dimethylurea?
1-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-1,3-dimethylurea has a molecular weight of 250.34 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]-1,3-dimethylurea is sourced from PubChem (CID 115169536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).