3-(2,3-dihydroxypropyl)-1-ethyl-1-methylurea

C7H16N2O3 — CID 79160078

IUPAC3-(2,3-dihydroxypropyl)-1-ethyl-1-methylurea
SMILESCCN(C)C(=O)NCC(O)CO
InChIInChI=1S/C7H16N2O3/c1-3-9(2)7(12)8-4-6(11)5-10/h6,10-11H,3-5H2,1-2H3,(H,8,12)
InChIKeyADVYKPMXZQHUPE-UHFFFAOYSA-N
MW176.22 g/mol
LogP-1.00
Rot. Bonds4

About 3-(2,3-dihydroxypropyl)-1-ethyl-1-methylurea

3-(2,3-dihydroxypropyl)-1-ethyl-1-methylurea (PubChem CID 79160078) has the molecular formula C7H16N2O3 and a molecular weight of 176.22 g/mol. Its IUPAC name is 3-(2,3-dihydroxypropyl)-1-ethyl-1-methylurea.

Molecular Properties

Compound Name3-(2,3-dihydroxypropyl)-1-ethyl-1-methylurea
PubChem CID79160078
Molecular FormulaC7H16N2O3
Molecular Weight176.22 g/mol
Exact Mass176.12
IUPAC Name3-(2,3-dihydroxypropyl)-1-ethyl-1-methylurea
SMILESCCN(C)C(=O)NCC(O)CO
InChIInChI=1S/C7H16N2O3/c1-3-9(2)7(12)8-4-6(11)5-10/h6,10-11H,3-5H2,1-2H3,(H,8,12)
InChIKeyADVYKPMXZQHUPE-UHFFFAOYSA-N
XLogP-1.00
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-Hydroxypropyl)urea
CID 11528340
1-(2-Hydroxypropyl)-3-n-butylurea
CID 22381453
Cyclic Urea
CID 71482479
N-(3-propoxy-2-hydroxypropyl)urea
CID 88809008
Urea, N,N'-bis(2-hydroxypropyl)-
CID 11229093
1-(2,3-Dihydroxypropyl)-3-(2,2,2-trifluoroethyl)urea
CID 112424346
1-(2-Hydroxypropyl)-1,3-diisopropylurea
CID 72100949
1,1'-(2-Hydroxypropane-1,3-diyl)bis(3-methylurea)
CID 265486
Urea, (2,3-dihydroxypropyl)-
CID 11499222
Urea, N'-(2-hydroxyethyl)-N,N-bis(2-hydroxypropyl)-
CID 11550311
1-(2-Hydroxypropyl)-3-propylurea
CID 12876542
1-(2-Hydroxyethyl)-1-methyl-3-propylurea
CID 13181630

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroxypropyl)-1-ethyl-1-methylurea?
The IUPAC name of 3-(2,3-dihydroxypropyl)-1-ethyl-1-methylurea (CID 79160078) is 3-(2,3-dihydroxypropyl)-1-ethyl-1-methylurea.
What is the SMILES notation for 3-(2,3-dihydroxypropyl)-1-ethyl-1-methylurea?
The canonical SMILES for 3-(2,3-dihydroxypropyl)-1-ethyl-1-methylurea is CCN(C)C(=O)NCC(O)CO.
What is the InChIKey of 3-(2,3-dihydroxypropyl)-1-ethyl-1-methylurea?
The InChIKey is ADVYKPMXZQHUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3/c1-3-9(2)7(12)8-4-6(11)5-10/h6,10-11H,3-5H2,1-2H3,(H,8,12).
What are the key properties of 3-(2,3-dihydroxypropyl)-1-ethyl-1-methylurea?
3-(2,3-dihydroxypropyl)-1-ethyl-1-methylurea has a molecular weight of 176.22 g/mol, XLogP of -1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroxypropyl)-1-ethyl-1-methylurea is sourced from PubChem (CID 79160078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).