1-(1-methoxypentan-2-yl)-3-methylurea

C8H18N2O2 — CID 58758830

IUPAC1-(1-methoxypentan-2-yl)-3-methylurea
SMILESCCCC(COC)NC(=O)NC
InChIInChI=1S/C8H18N2O2/c1-4-5-7(6-12-3)10-8(11)9-2/h7H,4-6H2,1-3H3,(H2,9,10,11)
InChIKeyOSJZRXSRRZRXHT-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.73
Rot. Bonds5

About 1-(1-methoxypentan-2-yl)-3-methylurea

1-(1-methoxypentan-2-yl)-3-methylurea (PubChem CID 58758830) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 1-(1-methoxypentan-2-yl)-3-methylurea.

Molecular Properties

Compound Name1-(1-methoxypentan-2-yl)-3-methylurea
PubChem CID58758830
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name1-(1-methoxypentan-2-yl)-3-methylurea
SMILESCCCC(COC)NC(=O)NC
InChIInChI=1S/C8H18N2O2/c1-4-5-7(6-12-3)10-8(11)9-2/h7H,4-6H2,1-3H3,(H2,9,10,11)
InChIKeyOSJZRXSRRZRXHT-UHFFFAOYSA-N
XLogP0.73
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypentan-2-yl)-3-methylurea?
The IUPAC name of 1-(1-methoxypentan-2-yl)-3-methylurea (CID 58758830) is 1-(1-methoxypentan-2-yl)-3-methylurea.
What is the SMILES notation for 1-(1-methoxypentan-2-yl)-3-methylurea?
The canonical SMILES for 1-(1-methoxypentan-2-yl)-3-methylurea is CCCC(COC)NC(=O)NC.
What is the InChIKey of 1-(1-methoxypentan-2-yl)-3-methylurea?
The InChIKey is OSJZRXSRRZRXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-4-5-7(6-12-3)10-8(11)9-2/h7H,4-6H2,1-3H3,(H2,9,10,11).
What are the key properties of 1-(1-methoxypentan-2-yl)-3-methylurea?
1-(1-methoxypentan-2-yl)-3-methylurea has a molecular weight of 174.24 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypentan-2-yl)-3-methylurea is sourced from PubChem (CID 58758830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).