3-(2-methoxyethyl)-1-methyl-1-[(2R)-2-methylbutyl]urea

C10H22N2O2 — CID 97025387

IUPAC3-(2-methoxyethyl)-1-methyl-1-[(2R)-2-methylbutyl]urea
SMILESCC[C@@H](C)CN(C)C(=O)NCCOC
InChIInChI=1S/C10H22N2O2/c1-5-9(2)8-12(3)10(13)11-6-7-14-4/h9H,5-8H2,1-4H3,(H,11,13)/t9-/m1/s1
InChIKeyZYUWKGWCMRWYLE-SECBINFHSA-N
MW202.30 g/mol
LogP1.32
Rot. Bonds6

About 3-(2-methoxyethyl)-1-methyl-1-[(2R)-2-methylbutyl]urea

3-(2-methoxyethyl)-1-methyl-1-[(2R)-2-methylbutyl]urea (PubChem CID 97025387) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-1-methyl-1-[(2R)-2-methylbutyl]urea.

Molecular Properties

Compound Name3-(2-methoxyethyl)-1-methyl-1-[(2R)-2-methylbutyl]urea
PubChem CID97025387
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name3-(2-methoxyethyl)-1-methyl-1-[(2R)-2-methylbutyl]urea
SMILESCC[C@@H](C)CN(C)C(=O)NCCOC
InChIInChI=1S/C10H22N2O2/c1-5-9(2)8-12(3)10(13)11-6-7-14-4/h9H,5-8H2,1-4H3,(H,11,13)/t9-/m1/s1
InChIKeyZYUWKGWCMRWYLE-SECBINFHSA-N
XLogP1.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-1-methyl-1-[(2R)-2-methylbutyl]urea?
The IUPAC name of 3-(2-methoxyethyl)-1-methyl-1-[(2R)-2-methylbutyl]urea (CID 97025387) is 3-(2-methoxyethyl)-1-methyl-1-[(2R)-2-methylbutyl]urea.
What is the SMILES notation for 3-(2-methoxyethyl)-1-methyl-1-[(2R)-2-methylbutyl]urea?
The canonical SMILES for 3-(2-methoxyethyl)-1-methyl-1-[(2R)-2-methylbutyl]urea is CC[C@@H](C)CN(C)C(=O)NCCOC.
What is the InChIKey of 3-(2-methoxyethyl)-1-methyl-1-[(2R)-2-methylbutyl]urea?
The InChIKey is ZYUWKGWCMRWYLE-SECBINFHSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-5-9(2)8-12(3)10(13)11-6-7-14-4/h9H,5-8H2,1-4H3,(H,11,13)/t9-/m1/s1.
What are the key properties of 3-(2-methoxyethyl)-1-methyl-1-[(2R)-2-methylbutyl]urea?
3-(2-methoxyethyl)-1-methyl-1-[(2R)-2-methylbutyl]urea has a molecular weight of 202.30 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-1-methyl-1-[(2R)-2-methylbutyl]urea is sourced from PubChem (CID 97025387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).