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

C12H18N2O4 — CID 108867914

IUPAC1-(2,6-dimethoxyphenyl)-3-(2-hydroxypropyl)urea
SMILESCOc1cccc(OC)c1NC(=O)NCC(C)O
InChIInChI=1S/C12H18N2O4/c1-8(15)7-13-12(16)14-11-9(17-2)5-4-6-10(11)18-3/h4-6,8,15H,7H2,1-3H3,(H2,13,14,16)
InChIKeyNMFDRILSHGQXIW-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.21
Rot. Bonds5

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

1-(2,6-dimethoxyphenyl)-3-(2-hydroxypropyl)urea (PubChem CID 108867914) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 1-(2,6-dimethoxyphenyl)-3-(2-hydroxypropyl)urea.

Molecular Properties

Compound Name1-(2,6-dimethoxyphenyl)-3-(2-hydroxypropyl)urea
PubChem CID108867914
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name1-(2,6-dimethoxyphenyl)-3-(2-hydroxypropyl)urea
SMILESCOc1cccc(OC)c1NC(=O)NCC(C)O
InChIInChI=1S/C12H18N2O4/c1-8(15)7-13-12(16)14-11-9(17-2)5-4-6-10(11)18-3/h4-6,8,15H,7H2,1-3H3,(H2,13,14,16)
InChIKeyNMFDRILSHGQXIW-UHFFFAOYSA-N
XLogP1.21
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-dimethoxyphenyl)-3-(2-methylpropyl)urea
CID 108867808
N-(2-hydroxypropyl)-2,6-dimethoxybenzamide
CID 43501194
1-(2,6-dimethoxyphenyl)-3-(2-methoxyethyl)urea
CID 108867809
1-(2,6-dimethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 108868095
1-benzyl-3-(2,6-dimethoxyphenyl)urea
CID 108867833
3-[(2,6-dimethoxyphenyl)carbamoylamino]propanoic acid
CID 108867767
1-(2,6-difluorophenyl)-3-(2,6-dimethoxyphenyl)urea
CID 108867921
1-tert-butyl-3-(2,6-dimethoxyphenyl)urea
CID 108867821
N-[3-(2-hydroxypropylcarbamoylamino)phenyl]acetamide
CID 108884122
1-(2,6-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108867817
1-(2,6-dimethoxyphenyl)-3-(4-phenylbutyl)urea
CID 108868115
1-(2-hydroxypropyl)-3-naphthalen-1-ylurea
CID 17468556

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethoxyphenyl)-3-(2-hydroxypropyl)urea?
The IUPAC name of 1-(2,6-dimethoxyphenyl)-3-(2-hydroxypropyl)urea (CID 108867914) is 1-(2,6-dimethoxyphenyl)-3-(2-hydroxypropyl)urea.
What is the SMILES notation for 1-(2,6-dimethoxyphenyl)-3-(2-hydroxypropyl)urea?
The canonical SMILES for 1-(2,6-dimethoxyphenyl)-3-(2-hydroxypropyl)urea is COc1cccc(OC)c1NC(=O)NCC(C)O.
What is the InChIKey of 1-(2,6-dimethoxyphenyl)-3-(2-hydroxypropyl)urea?
The InChIKey is NMFDRILSHGQXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-8(15)7-13-12(16)14-11-9(17-2)5-4-6-10(11)18-3/h4-6,8,15H,7H2,1-3H3,(H2,13,14,16).
What are the key properties of 1-(2,6-dimethoxyphenyl)-3-(2-hydroxypropyl)urea?
1-(2,6-dimethoxyphenyl)-3-(2-hydroxypropyl)urea has a molecular weight of 254.29 g/mol, XLogP of 1.21, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethoxyphenyl)-3-(2-hydroxypropyl)urea is sourced from PubChem (CID 108867914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).