1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-propan-2-ylurea

C9H20N2O3 — CID 60781175

IUPAC1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-propan-2-ylurea
SMILESCOCC(O)CN(C)C(=O)NC(C)C
InChIInChI=1S/C9H20N2O3/c1-7(2)10-9(13)11(3)5-8(12)6-14-4/h7-8,12H,5-6H2,1-4H3,(H,10,13)
InChIKeyRXHMSNRAMFOZKH-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.04
Rot. Bonds5

About 1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-propan-2-ylurea

1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-propan-2-ylurea (PubChem CID 60781175) has the molecular formula C9H20N2O3 and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-propan-2-ylurea
PubChem CID60781175
Molecular FormulaC9H20N2O3
Molecular Weight204.27 g/mol
Exact Mass204.15
IUPAC Name1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-propan-2-ylurea
SMILESCOCC(O)CN(C)C(=O)NC(C)C
InChIInChI=1S/C9H20N2O3/c1-7(2)10-9(13)11(3)5-8(12)6-14-4/h7-8,12H,5-6H2,1-4H3,(H,10,13)
InChIKeyRXHMSNRAMFOZKH-UHFFFAOYSA-N
XLogP0.04
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-propan-2-ylurea?
The IUPAC name of 1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-propan-2-ylurea (CID 60781175) is 1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-propan-2-ylurea.
What is the SMILES notation for 1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-propan-2-ylurea?
The canonical SMILES for 1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-propan-2-ylurea is COCC(O)CN(C)C(=O)NC(C)C.
What is the InChIKey of 1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-propan-2-ylurea?
The InChIKey is RXHMSNRAMFOZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3/c1-7(2)10-9(13)11(3)5-8(12)6-14-4/h7-8,12H,5-6H2,1-4H3,(H,10,13).
What are the key properties of 1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-propan-2-ylurea?
1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-propan-2-ylurea has a molecular weight of 204.27 g/mol, XLogP of 0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-propan-2-ylurea is sourced from PubChem (CID 60781175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).