2-methoxy-N-methylethanamine;1-methyl-1-(2-methyl-1-oxopropan-2-yl)urea

C10H23N3O3 — CID 144998233

IUPAC2-methoxy-N-methylethanamine;1-methyl-1-(2-methyl-1-oxopropan-2-yl)urea
SMILESCN(C(N)=O)C(C)(C)C=O.CNCCOC
InChIInChI=1S/C6H12N2O2.C4H11NO/c1-6(2,4-9)8(3)5(7)10;1-5-3-4-6-2/h4H,1-3H3,(H2,7,10);5H,3-4H2,1-2H3
InChIKeyZYIIWTJCWHKFIU-UHFFFAOYSA-N
MW233.31 g/mol
LogP-0.17
Rot. Bonds5

About 2-methoxy-N-methylethanamine;1-methyl-1-(2-methyl-1-oxopropan-2-yl)urea

2-methoxy-N-methylethanamine;1-methyl-1-(2-methyl-1-oxopropan-2-yl)urea (PubChem CID 144998233) has the molecular formula C10H23N3O3 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-methoxy-N-methylethanamine;1-methyl-1-(2-methyl-1-oxopropan-2-yl)urea.

Molecular Properties

Compound Name2-methoxy-N-methylethanamine;1-methyl-1-(2-methyl-1-oxopropan-2-yl)urea
PubChem CID144998233
Molecular FormulaC10H23N3O3
Molecular Weight233.31 g/mol
Exact Mass233.17
IUPAC Name2-methoxy-N-methylethanamine;1-methyl-1-(2-methyl-1-oxopropan-2-yl)urea
SMILESCN(C(N)=O)C(C)(C)C=O.CNCCOC
InChIInChI=1S/C6H12N2O2.C4H11NO/c1-6(2,4-9)8(3)5(7)10;1-5-3-4-6-2/h4H,1-3H3,(H2,7,10);5H,3-4H2,1-2H3
InChIKeyZYIIWTJCWHKFIU-UHFFFAOYSA-N
XLogP-0.17
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 131725176
2-(methylamino)ethyl 2-methoxyacetate
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CID 60841118
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine
CID 86705991
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CID 168897586

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methylethanamine;1-methyl-1-(2-methyl-1-oxopropan-2-yl)urea?
The IUPAC name of 2-methoxy-N-methylethanamine;1-methyl-1-(2-methyl-1-oxopropan-2-yl)urea (CID 144998233) is 2-methoxy-N-methylethanamine;1-methyl-1-(2-methyl-1-oxopropan-2-yl)urea.
What is the SMILES notation for 2-methoxy-N-methylethanamine;1-methyl-1-(2-methyl-1-oxopropan-2-yl)urea?
The canonical SMILES for 2-methoxy-N-methylethanamine;1-methyl-1-(2-methyl-1-oxopropan-2-yl)urea is CN(C(N)=O)C(C)(C)C=O.CNCCOC.
What is the InChIKey of 2-methoxy-N-methylethanamine;1-methyl-1-(2-methyl-1-oxopropan-2-yl)urea?
The InChIKey is ZYIIWTJCWHKFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2.C4H11NO/c1-6(2,4-9)8(3)5(7)10;1-5-3-4-6-2/h4H,1-3H3,(H2,7,10);5H,3-4H2,1-2H3.
What are the key properties of 2-methoxy-N-methylethanamine;1-methyl-1-(2-methyl-1-oxopropan-2-yl)urea?
2-methoxy-N-methylethanamine;1-methyl-1-(2-methyl-1-oxopropan-2-yl)urea has a molecular weight of 233.31 g/mol, XLogP of -0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methylethanamine;1-methyl-1-(2-methyl-1-oxopropan-2-yl)urea is sourced from PubChem (CID 144998233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).