3-ethyl-1-(2-hydroxy-3-methoxypropyl)-1-methylurea

C8H18N2O3 — CID 60793027

IUPAC3-ethyl-1-(2-hydroxy-3-methoxypropyl)-1-methylurea
SMILESCCNC(=O)N(C)CC(O)COC
InChIInChI=1S/C8H18N2O3/c1-4-9-8(12)10(2)5-7(11)6-13-3/h7,11H,4-6H2,1-3H3,(H,9,12)
InChIKeyDXLVFWLNQKNYJG-UHFFFAOYSA-N
MW190.24 g/mol
LogP-0.34
Rot. Bonds5

About 3-ethyl-1-(2-hydroxy-3-methoxypropyl)-1-methylurea

3-ethyl-1-(2-hydroxy-3-methoxypropyl)-1-methylurea (PubChem CID 60793027) has the molecular formula C8H18N2O3 and a molecular weight of 190.24 g/mol. Its IUPAC name is 3-ethyl-1-(2-hydroxy-3-methoxypropyl)-1-methylurea.

Molecular Properties

Compound Name3-ethyl-1-(2-hydroxy-3-methoxypropyl)-1-methylurea
PubChem CID60793027
Molecular FormulaC8H18N2O3
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Name3-ethyl-1-(2-hydroxy-3-methoxypropyl)-1-methylurea
SMILESCCNC(=O)N(C)CC(O)COC
InChIInChI=1S/C8H18N2O3/c1-4-9-8(12)10(2)5-7(11)6-13-3/h7,11H,4-6H2,1-3H3,(H,9,12)
InChIKeyDXLVFWLNQKNYJG-UHFFFAOYSA-N
XLogP-0.34
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-{[(S)-1,4-dioxan-2-yl]methyl}-3-ethyl-1-methylurea
CID 97041017
1-(Tert-butyl)-3-(2-hydroxy-3-methoxy-2-methylpropyl)urea
CID 56724270
1-(2-Hydroxypropyl)-3-n-butylurea
CID 22381453
N-(3-propoxy-2-hydroxypropyl)urea
CID 88809008
Urea, N,N'-bis(2-hydroxypropyl)-
CID 11229093
1-[2-Hydroxy-3-(2-methylpropoxy)propyl]-3-(2,2,2-trifluoroethyl)urea
CID 75894547
1-(2-Hydroxy-3-methoxypropyl)-1-methyl-3-(2,2,2-trifluoroethyl)urea
CID 110896384
1-(2-Hydroxy-3-methoxypropyl)-3-(2,2,2-trifluoroethyl)urea
CID 111425496
1-(2-Hydroxy-3-methoxypropyl)-3-(3,3,3-trifluoropropyl)urea
CID 111509216
1-(2-Hydroxypropyl)-1,3-diisopropylurea
CID 72100949
Urea, N'-(2-hydroxyethyl)-N,N-bis(2-hydroxypropyl)-
CID 11550311
1-(2-Hydroxypropyl)-3-propylurea
CID 12876542

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-hydroxy-3-methoxypropyl)-1-methylurea?
The IUPAC name of 3-ethyl-1-(2-hydroxy-3-methoxypropyl)-1-methylurea (CID 60793027) is 3-ethyl-1-(2-hydroxy-3-methoxypropyl)-1-methylurea.
What is the SMILES notation for 3-ethyl-1-(2-hydroxy-3-methoxypropyl)-1-methylurea?
The canonical SMILES for 3-ethyl-1-(2-hydroxy-3-methoxypropyl)-1-methylurea is CCNC(=O)N(C)CC(O)COC.
What is the InChIKey of 3-ethyl-1-(2-hydroxy-3-methoxypropyl)-1-methylurea?
The InChIKey is DXLVFWLNQKNYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3/c1-4-9-8(12)10(2)5-7(11)6-13-3/h7,11H,4-6H2,1-3H3,(H,9,12).
What are the key properties of 3-ethyl-1-(2-hydroxy-3-methoxypropyl)-1-methylurea?
3-ethyl-1-(2-hydroxy-3-methoxypropyl)-1-methylurea has a molecular weight of 190.24 g/mol, XLogP of -0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-hydroxy-3-methoxypropyl)-1-methylurea is sourced from PubChem (CID 60793027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).