1-methyl-3-[(3-methyloxetan-3-yl)methyl]-1-[[(3R)-oxan-3-yl]methyl]urea

C13H24N2O3 — CID 129345044

IUPAC1-methyl-3-[(3-methyloxetan-3-yl)methyl]-1-[[(3R)-oxan-3-yl]methyl]urea
SMILESCN(C[C@H]1CCCOC1)C(=O)NCC1(C)COC1
InChIInChI=1S/C13H24N2O3/c1-13(9-18-10-13)8-14-12(16)15(2)6-11-4-3-5-17-7-11/h11H,3-10H2,1-2H3,(H,14,16)/t11-/m1/s1
InChIKeyBLPODHUNFMHEII-LLVKDONJSA-N
MW256.35 g/mol
LogP1.09
Rot. Bonds4

About 1-methyl-3-[(3-methyloxetan-3-yl)methyl]-1-[[(3R)-oxan-3-yl]methyl]urea

1-methyl-3-[(3-methyloxetan-3-yl)methyl]-1-[[(3R)-oxan-3-yl]methyl]urea (PubChem CID 129345044) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-methyl-3-[(3-methyloxetan-3-yl)methyl]-1-[[(3R)-oxan-3-yl]methyl]urea.

Molecular Properties

Compound Name1-methyl-3-[(3-methyloxetan-3-yl)methyl]-1-[[(3R)-oxan-3-yl]methyl]urea
PubChem CID129345044
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-methyl-3-[(3-methyloxetan-3-yl)methyl]-1-[[(3R)-oxan-3-yl]methyl]urea
SMILESCN(C[C@H]1CCCOC1)C(=O)NCC1(C)COC1
InChIInChI=1S/C13H24N2O3/c1-13(9-18-10-13)8-14-12(16)15(2)6-11-4-3-5-17-7-11/h11H,3-10H2,1-2H3,(H,14,16)/t11-/m1/s1
InChIKeyBLPODHUNFMHEII-LLVKDONJSA-N
XLogP1.09
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methyl-3-[(3-methyloxetan-3-yl)methyl]-1-[[(3R)-oxan-3-yl]methyl]urea with MolForge

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Related Compounds

2-hydroxy-3-[[methyl(oxan-3-ylmethyl)carbamoyl]amino]propanoic acid
CID 66166156
3-cyclobutyl-1-methyl-1-(oxan-3-ylmethyl)urea
CID 115618287
2-methyl-4-[[methyl(oxan-3-ylmethyl)carbamoyl]amino]butanoic acid
CID 80541148
1-methyl-2-[[methyl(oxan-3-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 82764929
1-methyl-1-(oxan-3-ylmethyl)urea
CID 63712445
2,2-dimethyl-3-[methyl(oxan-3-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 64837348
2-(cyclopentylamino)-N-methyl-N-(oxan-3-ylmethyl)acetamide
CID 63712361
1,3-dimethyl-1-[[(3S)-oxolan-3-yl]methyl]urea
CID 163816588
N-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-(oxan-3-ylmethyl)oxamide
CID 63707704
3-amino-N-methyl-N-(oxan-3-ylmethyl)propanamide
CID 63712787
(2S)-N-[(3-methyloxetan-3-yl)methyl]oxolane-2-carboxamide
CID 103872794
3-amino-N,3-dimethyl-N-(oxan-3-ylmethyl)butanamide
CID 64677670

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(3-methyloxetan-3-yl)methyl]-1-[[(3R)-oxan-3-yl]methyl]urea?
The IUPAC name of 1-methyl-3-[(3-methyloxetan-3-yl)methyl]-1-[[(3R)-oxan-3-yl]methyl]urea (CID 129345044) is 1-methyl-3-[(3-methyloxetan-3-yl)methyl]-1-[[(3R)-oxan-3-yl]methyl]urea.
What is the SMILES notation for 1-methyl-3-[(3-methyloxetan-3-yl)methyl]-1-[[(3R)-oxan-3-yl]methyl]urea?
The canonical SMILES for 1-methyl-3-[(3-methyloxetan-3-yl)methyl]-1-[[(3R)-oxan-3-yl]methyl]urea is CN(C[C@H]1CCCOC1)C(=O)NCC1(C)COC1.
What is the InChIKey of 1-methyl-3-[(3-methyloxetan-3-yl)methyl]-1-[[(3R)-oxan-3-yl]methyl]urea?
The InChIKey is BLPODHUNFMHEII-LLVKDONJSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-13(9-18-10-13)8-14-12(16)15(2)6-11-4-3-5-17-7-11/h11H,3-10H2,1-2H3,(H,14,16)/t11-/m1/s1.
What are the key properties of 1-methyl-3-[(3-methyloxetan-3-yl)methyl]-1-[[(3R)-oxan-3-yl]methyl]urea?
1-methyl-3-[(3-methyloxetan-3-yl)methyl]-1-[[(3R)-oxan-3-yl]methyl]urea has a molecular weight of 256.35 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(3-methyloxetan-3-yl)methyl]-1-[[(3R)-oxan-3-yl]methyl]urea is sourced from PubChem (CID 129345044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).