1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-propan-2-ylurea

C9H20N2O3 — CID 90501184

IUPAC1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-propan-2-ylurea
SMILESCOCC(C)(O)CNC(=O)NC(C)C
InChIInChI=1S/C9H20N2O3/c1-7(2)11-8(12)10-5-9(3,13)6-14-4/h7,13H,5-6H2,1-4H3,(H2,10,11,12)
InChIKeyLVHTUVVQVGQMHV-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.09
Rot. Bonds5

About 1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-propan-2-ylurea

1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-propan-2-ylurea (PubChem CID 90501184) has the molecular formula C9H20N2O3 and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-propan-2-ylurea
PubChem CID90501184
Molecular FormulaC9H20N2O3
Molecular Weight204.27 g/mol
Exact Mass204.15
IUPAC Name1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-propan-2-ylurea
SMILESCOCC(C)(O)CNC(=O)NC(C)C
InChIInChI=1S/C9H20N2O3/c1-7(2)11-8(12)10-5-9(3,13)6-14-4/h7,13H,5-6H2,1-4H3,(H2,10,11,12)
InChIKeyLVHTUVVQVGQMHV-UHFFFAOYSA-N
XLogP0.09
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Tert-butyl)-3-(2-hydroxy-3-methoxy-2-methylpropyl)urea
CID 56724270
1-Cyclohexyl-3-(2-hydroxy-3-methoxy-2-methylpropyl)urea
CID 56724273
1-cyclohexyl-3-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]urea
CID 95354926
N-tert-Butyl-N'-(1,2-dimethoxy-2-methylpropyl)urea
CID 13172179
1-Tert-butyl-3-(2,3-dihydroxypropyl)urea
CID 57256466
1-(2,3-Dihydroxypropyl)-3-propan-2-ylurea
CID 58875833
1-(2-Hydroxy-2-methylpropyl)-3-propan-2-ylurea
CID 63778443
1-(2-Hydroxy-2-methylpropyl)-1-methyl-3-propan-2-ylurea
CID 72110907
1-[2-Hydroxy-3-(2-methylbutan-2-yloxy)propyl]-3-methylurea
CID 134215849
1-(3-Butan-2-yloxy-2-hydroxypropyl)-3-methylurea
CID 134215906
1-[2-Hydroxy-3-(2-methylbutan-2-yloxy)propyl]-3-iodourea
CID 139309946
1-Cyclopropyl-3-[2-hydroxy-3-(2-methylpropoxy)propyl]urea
CID 55767176

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-propan-2-ylurea?
The IUPAC name of 1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-propan-2-ylurea (CID 90501184) is 1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-propan-2-ylurea?
The canonical SMILES for 1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-propan-2-ylurea is COCC(C)(O)CNC(=O)NC(C)C.
What is the InChIKey of 1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-propan-2-ylurea?
The InChIKey is LVHTUVVQVGQMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3/c1-7(2)11-8(12)10-5-9(3,13)6-14-4/h7,13H,5-6H2,1-4H3,(H2,10,11,12).
What are the key properties of 1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-propan-2-ylurea?
1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-propan-2-ylurea has a molecular weight of 204.27 g/mol, XLogP of 0.09, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-methoxy-2-methylpropyl)-3-propan-2-ylurea is sourced from PubChem (CID 90501184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).