3-cyclobutyl-1-methyl-1-(oxan-3-ylmethyl)urea

C12H22N2O2 — CID 115618287

IUPAC3-cyclobutyl-1-methyl-1-(oxan-3-ylmethyl)urea
SMILESCN(CC1CCCOC1)C(=O)NC1CCC1
InChIInChI=1S/C12H22N2O2/c1-14(8-10-4-3-7-16-9-10)12(15)13-11-5-2-6-11/h10-11H,2-9H2,1H3,(H,13,15)
InChIKeyRKIAUBXQADRHLY-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.61
Rot. Bonds3

About 3-cyclobutyl-1-methyl-1-(oxan-3-ylmethyl)urea

3-cyclobutyl-1-methyl-1-(oxan-3-ylmethyl)urea (PubChem CID 115618287) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-cyclobutyl-1-methyl-1-(oxan-3-ylmethyl)urea.

Molecular Properties

Compound Name3-cyclobutyl-1-methyl-1-(oxan-3-ylmethyl)urea
PubChem CID115618287
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name3-cyclobutyl-1-methyl-1-(oxan-3-ylmethyl)urea
SMILESCN(CC1CCCOC1)C(=O)NC1CCC1
InChIInChI=1S/C12H22N2O2/c1-14(8-10-4-3-7-16-9-10)12(15)13-11-5-2-6-11/h10-11H,2-9H2,1H3,(H,13,15)
InChIKeyRKIAUBXQADRHLY-UHFFFAOYSA-N
XLogP1.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopentyl-1-(cyclopentylmethyl)-1-methylurea
CID 115597933
2-(cyclopentylamino)-N-methyl-N-(oxan-3-ylmethyl)acetamide
CID 63712361
1-methyl-2-[[methyl(oxan-3-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 82764929
1-methyl-1-(oxan-3-ylmethyl)urea
CID 63712445
3-[methyl(oxan-3-ylcarbamoyl)amino]propanoic acid
CID 63361423
1-methyl-3-[(3-methyloxetan-3-yl)methyl]-1-[[(3R)-oxan-3-yl]methyl]urea
CID 129345044
2-hydroxy-3-[[methyl(oxan-3-ylmethyl)carbamoyl]amino]propanoic acid
CID 66166156
1,3-dimethyl-1-[[(3S)-oxolan-3-yl]methyl]urea
CID 163816588
N-cyclopentyl-2-[4-[[methyl(oxan-3-ylmethyl)carbamoyl]amino]pyrazol-1-yl]acetamide
CID 127400528
3-amino-N-methyl-N-(oxan-3-ylmethyl)propanamide
CID 63712787
2-methoxy-N-methyl-N-(oxan-3-ylmethyl)propanamide
CID 115618168
2-methyl-4-[[methyl(oxan-3-ylmethyl)carbamoyl]amino]butanoic acid
CID 80541148

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-1-methyl-1-(oxan-3-ylmethyl)urea?
The IUPAC name of 3-cyclobutyl-1-methyl-1-(oxan-3-ylmethyl)urea (CID 115618287) is 3-cyclobutyl-1-methyl-1-(oxan-3-ylmethyl)urea.
What is the SMILES notation for 3-cyclobutyl-1-methyl-1-(oxan-3-ylmethyl)urea?
The canonical SMILES for 3-cyclobutyl-1-methyl-1-(oxan-3-ylmethyl)urea is CN(CC1CCCOC1)C(=O)NC1CCC1.
What is the InChIKey of 3-cyclobutyl-1-methyl-1-(oxan-3-ylmethyl)urea?
The InChIKey is RKIAUBXQADRHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-14(8-10-4-3-7-16-9-10)12(15)13-11-5-2-6-11/h10-11H,2-9H2,1H3,(H,13,15).
What are the key properties of 3-cyclobutyl-1-methyl-1-(oxan-3-ylmethyl)urea?
3-cyclobutyl-1-methyl-1-(oxan-3-ylmethyl)urea has a molecular weight of 226.32 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-1-methyl-1-(oxan-3-ylmethyl)urea is sourced from PubChem (CID 115618287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).