1-(2,6-dimethoxyphenyl)-3-(2-methylpropyl)urea

C13H20N2O3 — CID 108867808

IUPAC1-(2,6-dimethoxyphenyl)-3-(2-methylpropyl)urea
SMILESCOc1cccc(OC)c1NC(=O)NCC(C)C
InChIInChI=1S/C13H20N2O3/c1-9(2)8-14-13(16)15-12-10(17-3)6-5-7-11(12)18-4/h5-7,9H,8H2,1-4H3,(H2,14,15,16)
InChIKeyXANIXEUVOGHDSX-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.48
Rot. Bonds5

About 1-(2,6-dimethoxyphenyl)-3-(2-methylpropyl)urea

1-(2,6-dimethoxyphenyl)-3-(2-methylpropyl)urea (PubChem CID 108867808) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-(2,6-dimethoxyphenyl)-3-(2-methylpropyl)urea.

Molecular Properties

Compound Name1-(2,6-dimethoxyphenyl)-3-(2-methylpropyl)urea
PubChem CID108867808
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name1-(2,6-dimethoxyphenyl)-3-(2-methylpropyl)urea
SMILESCOc1cccc(OC)c1NC(=O)NCC(C)C
InChIInChI=1S/C13H20N2O3/c1-9(2)8-14-13(16)15-12-10(17-3)6-5-7-11(12)18-4/h5-7,9H,8H2,1-4H3,(H2,14,15,16)
InChIKeyXANIXEUVOGHDSX-UHFFFAOYSA-N
XLogP2.48
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dimethoxyphenyl)-3-(2-hydroxypropyl)urea
CID 108867914
1-(2,6-dimethoxyphenyl)-3-(2-methoxyethyl)urea
CID 108867809
1-(2,6-dimethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 108868095
1-[2,6-di(propan-2-yl)phenyl]-3-(2-methylpropyl)urea
CID 3588413
3-[(2,6-dimethoxyphenyl)carbamoylamino]propanoic acid
CID 108867767
1-benzyl-3-(2,6-dimethoxyphenyl)urea
CID 108867833
1-(2,6-difluorophenyl)-3-(2,6-dimethoxyphenyl)urea
CID 108867921
1-tert-butyl-3-(2,6-dimethoxyphenyl)urea
CID 108867821
1-(2,6-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108867817
1-(2,6-dimethoxyphenyl)-3-(4-phenylbutyl)urea
CID 108868115
2-(2-cyano-6-methoxyanilino)-N-(2-methylpropyl)propanamide
CID 107467514
2-(2-methoxyphenyl)-N-(2-methylpropyl)-2-oxoacetamide
CID 94262563

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxyphenyl)-3-(2-methylpropyl)urea?
The IUPAC name of 1-(2,6-dimethoxyphenyl)-3-(2-methylpropyl)urea (CID 108867808) is 1-(2,6-dimethoxyphenyl)-3-(2-methylpropyl)urea.
What is the SMILES notation for 1-(2,6-dimethoxyphenyl)-3-(2-methylpropyl)urea?
The canonical SMILES for 1-(2,6-dimethoxyphenyl)-3-(2-methylpropyl)urea is COc1cccc(OC)c1NC(=O)NCC(C)C.
What is the InChIKey of 1-(2,6-dimethoxyphenyl)-3-(2-methylpropyl)urea?
The InChIKey is XANIXEUVOGHDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-9(2)8-14-13(16)15-12-10(17-3)6-5-7-11(12)18-4/h5-7,9H,8H2,1-4H3,(H2,14,15,16).
What are the key properties of 1-(2,6-dimethoxyphenyl)-3-(2-methylpropyl)urea?
1-(2,6-dimethoxyphenyl)-3-(2-methylpropyl)urea has a molecular weight of 252.31 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethoxyphenyl)-3-(2-methylpropyl)urea is sourced from PubChem (CID 108867808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).