1-[2-(2-methoxy-4,6-dimethylphenyl)-2-methylpropyl]-3-methylurea

C15H24N2O2 — CID 115169613

IUPAC1-[2-(2-methoxy-4,6-dimethylphenyl)-2-methylpropyl]-3-methylurea
SMILESCNC(=O)NCC(C)(C)c1c(C)cc(C)cc1OC
InChIInChI=1S/C15H24N2O2/c1-10-7-11(2)13(12(8-10)19-6)15(3,4)9-17-14(18)16-5/h7-8H,9H2,1-6H3,(H2,16,17,18)
InChIKeyYIEGYJVWFAROCV-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.52
Rot. Bonds4

About 1-[2-(2-methoxy-4,6-dimethylphenyl)-2-methylpropyl]-3-methylurea

1-[2-(2-methoxy-4,6-dimethylphenyl)-2-methylpropyl]-3-methylurea (PubChem CID 115169613) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[2-(2-methoxy-4,6-dimethylphenyl)-2-methylpropyl]-3-methylurea.

Molecular Properties

Compound Name1-[2-(2-methoxy-4,6-dimethylphenyl)-2-methylpropyl]-3-methylurea
PubChem CID115169613
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-[2-(2-methoxy-4,6-dimethylphenyl)-2-methylpropyl]-3-methylurea
SMILESCNC(=O)NCC(C)(C)c1c(C)cc(C)cc1OC
InChIInChI=1S/C15H24N2O2/c1-10-7-11(2)13(12(8-10)19-6)15(3,4)9-17-14(18)16-5/h7-8H,9H2,1-6H3,(H2,16,17,18)
InChIKeyYIEGYJVWFAROCV-UHFFFAOYSA-N
XLogP2.52
TPSA50.36 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 ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-methoxy-4,6-dimethylphenyl)-2-methylpropyl]carbamoyl chloride
CID 115195188
[[2-(2-methoxy-4,6-dimethylphenyl)-2-methylpropyl]amino]methanol
CID 115229682
[2-methyl-2-(2,4,6-trimethylphenyl)propyl]carbamic acid
CID 115171394
[2-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropyl]urea
CID 115168853
N-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]carbamoyl bromide
CID 115194226
2-(methylamino)-N-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]acetamide
CID 115152174
(2S)-2-amino-2-(2-methoxy-4,6-dimethylphenyl)propanoic acid
CID 165354727
3-hydroxy-N-[2-methyl-2-(2,4,6-trimethylphenyl)propyl]propanamide
CID 115139516
2-(4-bromo-2-methylpentan-2-yl)-1-methoxy-3,5-dimethylbenzene
CID 106681366
1-[(2-methoxy-4,5-dimethylphenyl)methyl]-3-methylurea
CID 115169112
1-[[2-methyl-2-(2,4,6-trimethylphenyl)propyl]amino]propan-2-one
CID 115235277
1-amino-3-[2-(2-methoxy-5-methylphenyl)-2-methylpropyl]urea
CID 115193138

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxy-4,6-dimethylphenyl)-2-methylpropyl]-3-methylurea?
The IUPAC name of 1-[2-(2-methoxy-4,6-dimethylphenyl)-2-methylpropyl]-3-methylurea (CID 115169613) is 1-[2-(2-methoxy-4,6-dimethylphenyl)-2-methylpropyl]-3-methylurea.
What is the SMILES notation for 1-[2-(2-methoxy-4,6-dimethylphenyl)-2-methylpropyl]-3-methylurea?
The canonical SMILES for 1-[2-(2-methoxy-4,6-dimethylphenyl)-2-methylpropyl]-3-methylurea is CNC(=O)NCC(C)(C)c1c(C)cc(C)cc1OC.
What is the InChIKey of 1-[2-(2-methoxy-4,6-dimethylphenyl)-2-methylpropyl]-3-methylurea?
The InChIKey is YIEGYJVWFAROCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10-7-11(2)13(12(8-10)19-6)15(3,4)9-17-14(18)16-5/h7-8H,9H2,1-6H3,(H2,16,17,18).
What are the key properties of 1-[2-(2-methoxy-4,6-dimethylphenyl)-2-methylpropyl]-3-methylurea?
1-[2-(2-methoxy-4,6-dimethylphenyl)-2-methylpropyl]-3-methylurea has a molecular weight of 264.37 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxy-4,6-dimethylphenyl)-2-methylpropyl]-3-methylurea is sourced from PubChem (CID 115169613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).