3-butan-2-yl-1-(2-methoxyethyl)-1-[(4-methyloxan-4-yl)methyl]urea

C15H30N2O3 — CID 71686960

IUPAC3-butan-2-yl-1-(2-methoxyethyl)-1-[(4-methyloxan-4-yl)methyl]urea
SMILESCCC(C)NC(=O)N(CCOC)CC1(C)CCOCC1
InChIInChI=1S/C15H30N2O3/c1-5-13(2)16-14(18)17(8-11-19-4)12-15(3)6-9-20-10-7-15/h13H,5-12H2,1-4H3,(H,16,18)
InChIKeyWFJKWHPEHKWXQF-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.26
Rot. Bonds7

About 3-butan-2-yl-1-(2-methoxyethyl)-1-[(4-methyloxan-4-yl)methyl]urea

3-butan-2-yl-1-(2-methoxyethyl)-1-[(4-methyloxan-4-yl)methyl]urea (PubChem CID 71686960) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 3-butan-2-yl-1-(2-methoxyethyl)-1-[(4-methyloxan-4-yl)methyl]urea.

Molecular Properties

Compound Name3-butan-2-yl-1-(2-methoxyethyl)-1-[(4-methyloxan-4-yl)methyl]urea
PubChem CID71686960
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name3-butan-2-yl-1-(2-methoxyethyl)-1-[(4-methyloxan-4-yl)methyl]urea
SMILESCCC(C)NC(=O)N(CCOC)CC1(C)CCOCC1
InChIInChI=1S/C15H30N2O3/c1-5-13(2)16-14(18)17(8-11-19-4)12-15(3)6-9-20-10-7-15/h13H,5-12H2,1-4H3,(H,16,18)
InChIKeyWFJKWHPEHKWXQF-UHFFFAOYSA-N
XLogP2.26
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-(2-methoxyethyl)-1-[(4-methyloxan-4-yl)methyl]urea?
The IUPAC name of 3-butan-2-yl-1-(2-methoxyethyl)-1-[(4-methyloxan-4-yl)methyl]urea (CID 71686960) is 3-butan-2-yl-1-(2-methoxyethyl)-1-[(4-methyloxan-4-yl)methyl]urea.
What is the SMILES notation for 3-butan-2-yl-1-(2-methoxyethyl)-1-[(4-methyloxan-4-yl)methyl]urea?
The canonical SMILES for 3-butan-2-yl-1-(2-methoxyethyl)-1-[(4-methyloxan-4-yl)methyl]urea is CCC(C)NC(=O)N(CCOC)CC1(C)CCOCC1.
What is the InChIKey of 3-butan-2-yl-1-(2-methoxyethyl)-1-[(4-methyloxan-4-yl)methyl]urea?
The InChIKey is WFJKWHPEHKWXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-5-13(2)16-14(18)17(8-11-19-4)12-15(3)6-9-20-10-7-15/h13H,5-12H2,1-4H3,(H,16,18).
What are the key properties of 3-butan-2-yl-1-(2-methoxyethyl)-1-[(4-methyloxan-4-yl)methyl]urea?
3-butan-2-yl-1-(2-methoxyethyl)-1-[(4-methyloxan-4-yl)methyl]urea has a molecular weight of 286.42 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1-(2-methoxyethyl)-1-[(4-methyloxan-4-yl)methyl]urea is sourced from PubChem (CID 71686960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).