[2-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropyl]urea

C15H24N2O2 — CID 115168853

IUPAC[2-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropyl]urea
SMILESCOc1cc(C)c(C(C)(C)CNC(N)=O)c(C)c1C
InChIInChI=1S/C15H24N2O2/c1-9-7-12(19-6)10(2)11(3)13(9)15(4,5)8-17-14(16)18/h7H,8H2,1-6H3,(H3,16,17,18)
InChIKeyYUBCFVDZNUFBCF-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.57
Rot. Bonds4

About [2-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropyl]urea

[2-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropyl]urea (PubChem CID 115168853) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is [2-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropyl]urea.

Molecular Properties

Compound Name[2-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropyl]urea
PubChem CID115168853
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name[2-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropyl]urea
SMILESCOc1cc(C)c(C(C)(C)CNC(N)=O)c(C)c1C
InChIInChI=1S/C15H24N2O2/c1-9-7-12(19-6)10(2)11(3)13(9)15(4,5)8-17-14(16)18/h7H,8H2,1-6H3,(H3,16,17,18)
InChIKeyYUBCFVDZNUFBCF-UHFFFAOYSA-N
XLogP2.57
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2,5-dimethoxy-4-methylphenyl)-2-methylpropyl]urea
CID 115168800
2-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropan-1-amine
CID 116962203
N-[2-(2-methoxy-4,6-dimethylphenyl)-2-methylpropyl]carbamoyl chloride
CID 115195188
2-(4-methoxy-2,3,6-trimethylphenyl)ethylurea
CID 115168578
1-[2-(2-methoxy-4,6-dimethylphenyl)-2-methylpropyl]-3-methylurea
CID 115169613
[2-(4-ethoxy-3-methylphenyl)-2-methylpropyl]urea
CID 115168787
3-(3-chloro-4-methoxy-2,6-dimethylphenyl)-3-methylbutanoic acid
CID 117430031
N-[3-(1-acetamido-2-methylpropan-2-yl)-2,4-dimethylphenyl]-3,4-dimethoxybenzamide
CID 59507289
1,1,1-trifluoro-2-(4-methoxy-2,3,6-trimethylphenyl)butan-2-ol
CID 83958837
1-methoxy-2,3,5-trimethyl-4-(trifluoromethyl)benzene
CID 116964846
[2-methyl-2-(2,4,6-trimethylphenyl)propyl]carbamic acid
CID 115171394
N-[2-(4-methoxy-2,3-dimethylphenyl)-2-methylpropyl]-2-oxoacetamide
CID 115166846

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropyl]urea?
The IUPAC name of [2-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropyl]urea (CID 115168853) is [2-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropyl]urea.
What is the SMILES notation for [2-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropyl]urea?
The canonical SMILES for [2-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropyl]urea is COc1cc(C)c(C(C)(C)CNC(N)=O)c(C)c1C.
What is the InChIKey of [2-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropyl]urea?
The InChIKey is YUBCFVDZNUFBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-9-7-12(19-6)10(2)11(3)13(9)15(4,5)8-17-14(16)18/h7H,8H2,1-6H3,(H3,16,17,18).
What are the key properties of [2-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropyl]urea?
[2-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropyl]urea has a molecular weight of 264.37 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropyl]urea is sourced from PubChem (CID 115168853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).