1-methyl-3-(2-methylpropyl)-1-(oxan-4-ylmethyl)urea

C12H24N2O2 — CID 91914980

IUPAC1-methyl-3-(2-methylpropyl)-1-(oxan-4-ylmethyl)urea
SMILESCC(C)CNC(=O)N(C)CC1CCOCC1
InChIInChI=1S/C12H24N2O2/c1-10(2)8-13-12(15)14(3)9-11-4-6-16-7-5-11/h10-11H,4-9H2,1-3H3,(H,13,15)
InChIKeyMCGKMMNMLIADGV-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.71
Rot. Bonds4

About 1-methyl-3-(2-methylpropyl)-1-(oxan-4-ylmethyl)urea

1-methyl-3-(2-methylpropyl)-1-(oxan-4-ylmethyl)urea (PubChem CID 91914980) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-methyl-3-(2-methylpropyl)-1-(oxan-4-ylmethyl)urea.

Molecular Properties

Compound Name1-methyl-3-(2-methylpropyl)-1-(oxan-4-ylmethyl)urea
PubChem CID91914980
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-methyl-3-(2-methylpropyl)-1-(oxan-4-ylmethyl)urea
SMILESCC(C)CNC(=O)N(C)CC1CCOCC1
InChIInChI=1S/C12H24N2O2/c1-10(2)8-13-12(15)14(3)9-11-4-6-16-7-5-11/h10-11H,4-9H2,1-3H3,(H,13,15)
InChIKeyMCGKMMNMLIADGV-UHFFFAOYSA-N
XLogP1.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methyl-1-(oxan-4-ylmethyl)-3-(3-piperidin-1-ylpropyl)urea
CID 75438279
1-Methyl-3-[2-[methyl(propan-2-yl)amino]ethyl]-1-(oxan-4-ylmethyl)urea
CID 84593073
3-Cyclopentyl-1-[(oxan-4-yl)methyl]urea
CID 110749296
N'-cyclopentyl-N-methyl-N-[(oxan-4-yl)methyl]urea
CID 110752124
N-(tert-butyl)-4-((2-methoxyethoxy)methyl)piperidine-1-carboxamide
CID 49670842
3-Cyclohexyl-1-methyl-1-[(4-methyloxan-4-yl)methyl]urea
CID 71686938
1-Methyl-3-(3-methylbutyl)-1-[(oxan-4-YL)methyl]urea
CID 91914982
N'-isopropyl-N-methyl-N-tetrahydro-2H-pyran-4-ylmethylurea
CID 110752122
N-cyclopentyl-N'-[(4-methyloxan-4-yl)methyl]urea
CID 110875702
N'-tert-butyl-N-methyl-N-[(4-methyloxan-4-yl)methyl]urea
CID 110875728
3-Cyclopentyl-1-methyl-1-[(4-methyloxan-4-yl)methyl]urea
CID 110875729
N-ethyl-4-(methoxymethyl)piperidine-1-carboxamide
CID 71782916

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-methylpropyl)-1-(oxan-4-ylmethyl)urea?
The IUPAC name of 1-methyl-3-(2-methylpropyl)-1-(oxan-4-ylmethyl)urea (CID 91914980) is 1-methyl-3-(2-methylpropyl)-1-(oxan-4-ylmethyl)urea.
What is the SMILES notation for 1-methyl-3-(2-methylpropyl)-1-(oxan-4-ylmethyl)urea?
The canonical SMILES for 1-methyl-3-(2-methylpropyl)-1-(oxan-4-ylmethyl)urea is CC(C)CNC(=O)N(C)CC1CCOCC1.
What is the InChIKey of 1-methyl-3-(2-methylpropyl)-1-(oxan-4-ylmethyl)urea?
The InChIKey is MCGKMMNMLIADGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10(2)8-13-12(15)14(3)9-11-4-6-16-7-5-11/h10-11H,4-9H2,1-3H3,(H,13,15).
What are the key properties of 1-methyl-3-(2-methylpropyl)-1-(oxan-4-ylmethyl)urea?
1-methyl-3-(2-methylpropyl)-1-(oxan-4-ylmethyl)urea has a molecular weight of 228.34 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-methylpropyl)-1-(oxan-4-ylmethyl)urea is sourced from PubChem (CID 91914980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).