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

C8H16N2O2 — CID 63712445

IUPAC1-methyl-1-(oxan-3-ylmethyl)urea
SMILESCN(CC1CCCOC1)C(N)=O
InChIInChI=1S/C8H16N2O2/c1-10(8(9)11)5-7-3-2-4-12-6-7/h7H,2-6H2,1H3,(H2,9,11)
InChIKeyHHZRYCKHDPOIBV-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.42
Rot. Bonds2

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

1-methyl-1-(oxan-3-ylmethyl)urea (PubChem CID 63712445) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 1-methyl-1-(oxan-3-ylmethyl)urea.

Molecular Properties

Compound Name1-methyl-1-(oxan-3-ylmethyl)urea
PubChem CID63712445
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name1-methyl-1-(oxan-3-ylmethyl)urea
SMILESCN(CC1CCCOC1)C(N)=O
InChIInChI=1S/C8H16N2O2/c1-10(8(9)11)5-7-3-2-4-12-6-7/h7H,2-6H2,1H3,(H2,9,11)
InChIKeyHHZRYCKHDPOIBV-UHFFFAOYSA-N
XLogP0.42
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-methyl-N-(oxan-3-ylmethyl)propanamide
CID 63712787
2-[methyl(oxan-3-ylmethyl)amino]acetamide
CID 63713511
1-(cyclobutylmethyl)-1-methylurea
CID 62860439
2-(4-aminocyclohexyl)-N-methyl-N-(oxan-3-ylmethyl)acetamide
CID 63706765
3-amino-N,3-dimethyl-N-(oxan-3-ylmethyl)butanamide
CID 64677670
N-methyl-N-(oxan-3-ylmethyl)hydroxylamine
CID 82594564
2,2-dimethyl-3-[methyl(oxan-3-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 64837348
ethyl 4-[methyl(oxan-3-ylmethyl)amino]-4-oxobutanoate
CID 63717734
2-amino-N,2-dimethyl-N-(oxan-3-ylmethyl)butanamide
CID 79811911
2-[(2-amino-2-oxoethyl)-[methyl(oxan-3-ylmethyl)carbamoyl]amino]acetic acid
CID 107438771
propan-2-yl N-methyl-N-(oxan-3-ylmethyl)carbamate
CID 116656071
3-cyclobutyl-1-methyl-1-(oxan-3-ylmethyl)urea
CID 115618287

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(oxan-3-ylmethyl)urea?
The IUPAC name of 1-methyl-1-(oxan-3-ylmethyl)urea (CID 63712445) is 1-methyl-1-(oxan-3-ylmethyl)urea.
What is the SMILES notation for 1-methyl-1-(oxan-3-ylmethyl)urea?
The canonical SMILES for 1-methyl-1-(oxan-3-ylmethyl)urea is CN(CC1CCCOC1)C(N)=O.
What is the InChIKey of 1-methyl-1-(oxan-3-ylmethyl)urea?
The InChIKey is HHZRYCKHDPOIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-10(8(9)11)5-7-3-2-4-12-6-7/h7H,2-6H2,1H3,(H2,9,11).
What are the key properties of 1-methyl-1-(oxan-3-ylmethyl)urea?
1-methyl-1-(oxan-3-ylmethyl)urea has a molecular weight of 172.23 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(oxan-3-ylmethyl)urea is sourced from PubChem (CID 63712445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).