1-(3-butan-2-yloxy-2-hydroxypropyl)-3-methylurea

C9H20N2O3 — CID 134215906

IUPAC1-(3-butan-2-yloxy-2-hydroxypropyl)-3-methylurea
SMILESCCC(C)OCC(O)CNC(=O)NC
InChIInChI=1S/C9H20N2O3/c1-4-7(2)14-6-8(12)5-11-9(13)10-3/h7-8,12H,4-6H2,1-3H3,(H2,10,11,13)
InChIKeyBRKRQCBCVDKPEX-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.09
Rot. Bonds6

About 1-(3-butan-2-yloxy-2-hydroxypropyl)-3-methylurea

1-(3-butan-2-yloxy-2-hydroxypropyl)-3-methylurea (PubChem CID 134215906) has the molecular formula C9H20N2O3 and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-(3-butan-2-yloxy-2-hydroxypropyl)-3-methylurea.

Molecular Properties

Compound Name1-(3-butan-2-yloxy-2-hydroxypropyl)-3-methylurea
PubChem CID134215906
Molecular FormulaC9H20N2O3
Molecular Weight204.27 g/mol
Exact Mass204.15
IUPAC Name1-(3-butan-2-yloxy-2-hydroxypropyl)-3-methylurea
SMILESCCC(C)OCC(O)CNC(=O)NC
InChIInChI=1S/C9H20N2O3/c1-4-7(2)14-6-8(12)5-11-9(13)10-3/h7-8,12H,4-6H2,1-3H3,(H2,10,11,13)
InChIKeyBRKRQCBCVDKPEX-UHFFFAOYSA-N
XLogP0.09
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 1-(3-butan-2-yloxy-2-hydroxypropyl)-3-methylurea?
The IUPAC name of 1-(3-butan-2-yloxy-2-hydroxypropyl)-3-methylurea (CID 134215906) is 1-(3-butan-2-yloxy-2-hydroxypropyl)-3-methylurea.
What is the SMILES notation for 1-(3-butan-2-yloxy-2-hydroxypropyl)-3-methylurea?
The canonical SMILES for 1-(3-butan-2-yloxy-2-hydroxypropyl)-3-methylurea is CCC(C)OCC(O)CNC(=O)NC.
What is the InChIKey of 1-(3-butan-2-yloxy-2-hydroxypropyl)-3-methylurea?
The InChIKey is BRKRQCBCVDKPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3/c1-4-7(2)14-6-8(12)5-11-9(13)10-3/h7-8,12H,4-6H2,1-3H3,(H2,10,11,13).
What are the key properties of 1-(3-butan-2-yloxy-2-hydroxypropyl)-3-methylurea?
1-(3-butan-2-yloxy-2-hydroxypropyl)-3-methylurea has a molecular weight of 204.27 g/mol, XLogP of 0.09, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butan-2-yloxy-2-hydroxypropyl)-3-methylurea is sourced from PubChem (CID 134215906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).