[2-(2,5-dimethoxy-4-methylphenyl)-2-methylpropyl]urea

C14H22N2O3 — CID 115168800

IUPAC[2-(2,5-dimethoxy-4-methylphenyl)-2-methylpropyl]urea
SMILESCOc1cc(C(C)(C)CNC(N)=O)c(OC)cc1C
InChIInChI=1S/C14H22N2O3/c1-9-6-12(19-5)10(7-11(9)18-4)14(2,3)8-16-13(15)17/h6-7H,8H2,1-5H3,(H3,15,16,17)
InChIKeySHPHLAVWHNAEFZ-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.96
Rot. Bonds5

About [2-(2,5-dimethoxy-4-methylphenyl)-2-methylpropyl]urea

[2-(2,5-dimethoxy-4-methylphenyl)-2-methylpropyl]urea (PubChem CID 115168800) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is [2-(2,5-dimethoxy-4-methylphenyl)-2-methylpropyl]urea.

Molecular Properties

Compound Name[2-(2,5-dimethoxy-4-methylphenyl)-2-methylpropyl]urea
PubChem CID115168800
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name[2-(2,5-dimethoxy-4-methylphenyl)-2-methylpropyl]urea
SMILESCOc1cc(C(C)(C)CNC(N)=O)c(OC)cc1C
InChIInChI=1S/C14H22N2O3/c1-9-6-12(19-5)10(7-11(9)18-4)14(2,3)8-16-13(15)17/h6-7H,8H2,1-5H3,(H3,15,16,17)
InChIKeySHPHLAVWHNAEFZ-UHFFFAOYSA-N
XLogP1.96
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropyl]urea
CID 115168853
2-(5-tert-butyl-4-methoxy-2-methylphenyl)acetamide
CID 82496629
N-[2-(5-amino-4-methoxy-2-methylphenyl)-2-methylpropyl]-2,2,2-trifluoroacetamide
CID 122629192
[2-(4-ethoxy-3-methylphenyl)-2-methylpropyl]urea
CID 115168787
1-amino-3-[2-(2-methoxy-5-methylphenyl)-2-methylpropyl]urea
CID 115193138
2-(2,5-dimethoxy-4-methylphenyl)propan-2-ol;ethane
CID 145081658
2-(5-tert-butyl-4-methoxy-2-methylphenyl)-N,2-dimethylpropan-1-amine
CID 94978960
5-tert-butyl-N-(cyanomethyl)-4-methoxy-2-methylbenzamide
CID 82484656
2-amino-N-[(5-tert-butyl-4-methoxy-2-methylphenyl)methyl]acetamide
CID 96678465
2-cyano-N-[2-(2-methoxy-5-methylphenyl)-2-methylpropyl]acetamide
CID 115173415
2-(5-ethoxy-2-methoxy-4-methylphenyl)-2-methylpropan-1-ol
CID 117349596
N-(bromomethyl)-2-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-1-amine
CID 115262540

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethoxy-4-methylphenyl)-2-methylpropyl]urea?
The IUPAC name of [2-(2,5-dimethoxy-4-methylphenyl)-2-methylpropyl]urea (CID 115168800) is [2-(2,5-dimethoxy-4-methylphenyl)-2-methylpropyl]urea.
What is the SMILES notation for [2-(2,5-dimethoxy-4-methylphenyl)-2-methylpropyl]urea?
The canonical SMILES for [2-(2,5-dimethoxy-4-methylphenyl)-2-methylpropyl]urea is COc1cc(C(C)(C)CNC(N)=O)c(OC)cc1C.
What is the InChIKey of [2-(2,5-dimethoxy-4-methylphenyl)-2-methylpropyl]urea?
The InChIKey is SHPHLAVWHNAEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-9-6-12(19-5)10(7-11(9)18-4)14(2,3)8-16-13(15)17/h6-7H,8H2,1-5H3,(H3,15,16,17).
What are the key properties of [2-(2,5-dimethoxy-4-methylphenyl)-2-methylpropyl]urea?
[2-(2,5-dimethoxy-4-methylphenyl)-2-methylpropyl]urea has a molecular weight of 266.34 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethoxy-4-methylphenyl)-2-methylpropyl]urea is sourced from PubChem (CID 115168800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).