1-methyl-3-(2-methyl-4-morpholin-4-ylpentan-3-yl)urea

C12H25N3O2 — CID 169251186

IUPAC1-methyl-3-(2-methyl-4-morpholin-4-ylpentan-3-yl)urea
SMILESCNC(=O)NC(C(C)C)C(C)N1CCOCC1
InChIInChI=1S/C12H25N3O2/c1-9(2)11(14-12(16)13-4)10(3)15-5-7-17-8-6-15/h9-11H,5-8H2,1-4H3,(H2,13,14,16)
InChIKeyWPRJZGVDTWAGST-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.66
Rot. Bonds4

About 1-methyl-3-(2-methyl-4-morpholin-4-ylpentan-3-yl)urea

1-methyl-3-(2-methyl-4-morpholin-4-ylpentan-3-yl)urea (PubChem CID 169251186) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-methyl-3-(2-methyl-4-morpholin-4-ylpentan-3-yl)urea.

Molecular Properties

Compound Name1-methyl-3-(2-methyl-4-morpholin-4-ylpentan-3-yl)urea
PubChem CID169251186
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name1-methyl-3-(2-methyl-4-morpholin-4-ylpentan-3-yl)urea
SMILESCNC(=O)NC(C(C)C)C(C)N1CCOCC1
InChIInChI=1S/C12H25N3O2/c1-9(2)11(14-12(16)13-4)10(3)15-5-7-17-8-6-15/h9-11H,5-8H2,1-4H3,(H2,13,14,16)
InChIKeyWPRJZGVDTWAGST-UHFFFAOYSA-N
XLogP0.66
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-methyl-4-morpholin-4-ylpentan-3-yl)urea?
The IUPAC name of 1-methyl-3-(2-methyl-4-morpholin-4-ylpentan-3-yl)urea (CID 169251186) is 1-methyl-3-(2-methyl-4-morpholin-4-ylpentan-3-yl)urea.
What is the SMILES notation for 1-methyl-3-(2-methyl-4-morpholin-4-ylpentan-3-yl)urea?
The canonical SMILES for 1-methyl-3-(2-methyl-4-morpholin-4-ylpentan-3-yl)urea is CNC(=O)NC(C(C)C)C(C)N1CCOCC1.
What is the InChIKey of 1-methyl-3-(2-methyl-4-morpholin-4-ylpentan-3-yl)urea?
The InChIKey is WPRJZGVDTWAGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-9(2)11(14-12(16)13-4)10(3)15-5-7-17-8-6-15/h9-11H,5-8H2,1-4H3,(H2,13,14,16).
What are the key properties of 1-methyl-3-(2-methyl-4-morpholin-4-ylpentan-3-yl)urea?
1-methyl-3-(2-methyl-4-morpholin-4-ylpentan-3-yl)urea has a molecular weight of 243.35 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-methyl-4-morpholin-4-ylpentan-3-yl)urea is sourced from PubChem (CID 169251186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).