3-ethyl-1-methyl-1-(2-propan-2-yloxyethyl)urea

C9H20N2O2 — CID 115698202

IUPAC3-ethyl-1-methyl-1-(2-propan-2-yloxyethyl)urea
SMILESCCNC(=O)N(C)CCOC(C)C
InChIInChI=1S/C9H20N2O2/c1-5-10-9(12)11(4)6-7-13-8(2)3/h8H,5-7H2,1-4H3,(H,10,12)
InChIKeyALOYJKDJQSTIEZ-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.07
Rot. Bonds5

About 3-ethyl-1-methyl-1-(2-propan-2-yloxyethyl)urea

3-ethyl-1-methyl-1-(2-propan-2-yloxyethyl)urea (PubChem CID 115698202) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-ethyl-1-methyl-1-(2-propan-2-yloxyethyl)urea.

Molecular Properties

Compound Name3-ethyl-1-methyl-1-(2-propan-2-yloxyethyl)urea
PubChem CID115698202
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name3-ethyl-1-methyl-1-(2-propan-2-yloxyethyl)urea
SMILESCCNC(=O)N(C)CCOC(C)C
InChIInChI=1S/C9H20N2O2/c1-5-10-9(12)11(4)6-7-13-8(2)3/h8H,5-7H2,1-4H3,(H,10,12)
InChIKeyALOYJKDJQSTIEZ-UHFFFAOYSA-N
XLogP1.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-methyl-1-(2-propan-2-yloxyethyl)urea
CID 81062243
2-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]pentanoic acid
CID 81058135
(2S)-2-hydroxy-4-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid
CID 107840583
4,4-dimethyl-2-[[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]methyl]pentanoic acid
CID 107474565
4-[[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 81037703
(2R)-3-methyl-2-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid
CID 81061955
4-[[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]methyl]benzoic acid
CID 81038080
4-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]pentanoic acid
CID 81057575
N-methyl-2-(methylamino)-N-(2-propan-2-yloxyethyl)acetamide
CID 81056033
3-methyl-3-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid
CID 81057768
5-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]hexanoic acid
CID 82848023
(2R)-2-amino-N-methyl-N-(2-propan-2-yloxyethyl)butanamide
CID 81055167

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-1-(2-propan-2-yloxyethyl)urea?
The IUPAC name of 3-ethyl-1-methyl-1-(2-propan-2-yloxyethyl)urea (CID 115698202) is 3-ethyl-1-methyl-1-(2-propan-2-yloxyethyl)urea.
What is the SMILES notation for 3-ethyl-1-methyl-1-(2-propan-2-yloxyethyl)urea?
The canonical SMILES for 3-ethyl-1-methyl-1-(2-propan-2-yloxyethyl)urea is CCNC(=O)N(C)CCOC(C)C.
What is the InChIKey of 3-ethyl-1-methyl-1-(2-propan-2-yloxyethyl)urea?
The InChIKey is ALOYJKDJQSTIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-5-10-9(12)11(4)6-7-13-8(2)3/h8H,5-7H2,1-4H3,(H,10,12).
What are the key properties of 3-ethyl-1-methyl-1-(2-propan-2-yloxyethyl)urea?
3-ethyl-1-methyl-1-(2-propan-2-yloxyethyl)urea has a molecular weight of 188.27 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-1-(2-propan-2-yloxyethyl)urea is sourced from PubChem (CID 115698202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).