1,1,3-trimethyl-3-[2-(oxan-2-yl)ethyl]urea

C11H22N2O2 — CID 110604883

IUPAC1,1,3-trimethyl-3-[2-(oxan-2-yl)ethyl]urea
SMILESCN(C)C(=O)N(C)CCC1CCCCO1
InChIInChI=1S/C11H22N2O2/c1-12(2)11(14)13(3)8-7-10-6-4-5-9-15-10/h10H,4-9H2,1-3H3
InChIKeyRZTUFWCDTUXNMX-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.56
Rot. Bonds3

About 1,1,3-trimethyl-3-[2-(oxan-2-yl)ethyl]urea

1,1,3-trimethyl-3-[2-(oxan-2-yl)ethyl]urea (PubChem CID 110604883) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1,1,3-trimethyl-3-[2-(oxan-2-yl)ethyl]urea.

Molecular Properties

Compound Name1,1,3-trimethyl-3-[2-(oxan-2-yl)ethyl]urea
PubChem CID110604883
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1,1,3-trimethyl-3-[2-(oxan-2-yl)ethyl]urea
SMILESCN(C)C(=O)N(C)CCC1CCCCO1
InChIInChI=1S/C11H22N2O2/c1-12(2)11(14)13(3)8-7-10-6-4-5-9-15-10/h10H,4-9H2,1-3H3
InChIKeyRZTUFWCDTUXNMX-UHFFFAOYSA-N
XLogP1.56
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[methyl-[2-[(2S)-oxan-2-yl]ethyl]amino]-5-oxopentanoic acid
CID 126440241
N-methyl-N-[2-(oxan-2-yl)ethyl]adamantane-1-carboxamide
CID 110604888
1-methyl-3-(3-methylbutyl)-1-[2-(oxan-2-yl)ethyl]urea
CID 110426616
3-(2-methoxyethyl)-1-methyl-1-[2-(oxan-2-yl)ethyl]urea
CID 110426615
1-ethyl-N,3,5-trimethyl-N-[2-[(2R)-oxan-2-yl]ethyl]pyrazole-4-carboxamide
CID 125177076
N-methyl-N-[2-(oxan-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 77091135
N-(dimethylsulfamoyl)-N-methyl-2-(oxan-2-yl)ethanamine
CID 110671768
N-methyl-2-(1-methylpyrrol-2-yl)-N-[2-[(2R)-oxan-2-yl]ethyl]-2-oxoacetamide
CID 99927104
N-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]-5-propyl-1,2-oxazole-3-carboxamide
CID 96579479
4-(3,4-dimethylphenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-4-oxobutanamide
CID 110614236
N-methyl-N-(oxan-2-ylmethyl)cyclopropanecarboxamide
CID 61150958
1-cyclohexyl-N-methyl-N-[2-(oxan-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 110614196

Frequently Asked Questions

What is the IUPAC name of 1,1,3-trimethyl-3-[2-(oxan-2-yl)ethyl]urea?
The IUPAC name of 1,1,3-trimethyl-3-[2-(oxan-2-yl)ethyl]urea (CID 110604883) is 1,1,3-trimethyl-3-[2-(oxan-2-yl)ethyl]urea.
What is the SMILES notation for 1,1,3-trimethyl-3-[2-(oxan-2-yl)ethyl]urea?
The canonical SMILES for 1,1,3-trimethyl-3-[2-(oxan-2-yl)ethyl]urea is CN(C)C(=O)N(C)CCC1CCCCO1.
What is the InChIKey of 1,1,3-trimethyl-3-[2-(oxan-2-yl)ethyl]urea?
The InChIKey is RZTUFWCDTUXNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-12(2)11(14)13(3)8-7-10-6-4-5-9-15-10/h10H,4-9H2,1-3H3.
What are the key properties of 1,1,3-trimethyl-3-[2-(oxan-2-yl)ethyl]urea?
1,1,3-trimethyl-3-[2-(oxan-2-yl)ethyl]urea has a molecular weight of 214.31 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-trimethyl-3-[2-(oxan-2-yl)ethyl]urea is sourced from PubChem (CID 110604883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).