3-(3-methoxycyclobutyl)-1,1-dimethylurea

C8H16N2O2 — CID 104581744

IUPAC3-(3-methoxycyclobutyl)-1,1-dimethylurea
SMILESCOC1CC(NC(=O)N(C)C)C1
InChIInChI=1S/C8H16N2O2/c1-10(2)8(11)9-6-4-7(5-6)12-3/h6-7H,4-5H2,1-3H3,(H,9,11)
InChIKeyXFZXVIOJSURDGR-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.44
Rot. Bonds2

About 3-(3-methoxycyclobutyl)-1,1-dimethylurea

3-(3-methoxycyclobutyl)-1,1-dimethylurea (PubChem CID 104581744) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 3-(3-methoxycyclobutyl)-1,1-dimethylurea.

Molecular Properties

Compound Name3-(3-methoxycyclobutyl)-1,1-dimethylurea
PubChem CID104581744
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name3-(3-methoxycyclobutyl)-1,1-dimethylurea
SMILESCOC1CC(NC(=O)N(C)C)C1
InChIInChI=1S/C8H16N2O2/c1-10(2)8(11)9-6-4-7(5-6)12-3/h6-7H,4-5H2,1-3H3,(H,9,11)
InChIKeyXFZXVIOJSURDGR-UHFFFAOYSA-N
XLogP0.44
TPSA41.57 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 ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methoxycyclobutyl)-2,2-dimethylpropanamide
CID 104578372
(2S)-2-hydroxy-N-(3-methoxycyclobutyl)propanamide
CID 131069206
N-(3-methoxycyclobutyl)ethanethioamide
CID 142576151
(E)-N-(3-methoxycyclobutyl)but-2-enamide
CID 104578454
N-(3-methoxycyclobutyl)-4-oxopentanamide
CID 104600930
1,1-dimethyl-3-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]urea
CID 121218221
(1S,6R)-6-[(3-methoxycyclobutyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 114118848
acetic acid;3-cyclohexyl-1,1-dimethylurea;ethane
CID 142518956
N,3-dimethoxycyclobutan-1-amine
CID 106821578
2-cyano-N-(3-methoxycyclobutyl)-2-methylpropanamide
CID 104578369
1,1-dimethyl-3-(2-methylcyclopropyl)urea
CID 115608993
1-(3-methoxycyclobutyl)-3-methylthiourea
CID 104587614

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxycyclobutyl)-1,1-dimethylurea?
The IUPAC name of 3-(3-methoxycyclobutyl)-1,1-dimethylurea (CID 104581744) is 3-(3-methoxycyclobutyl)-1,1-dimethylurea.
What is the SMILES notation for 3-(3-methoxycyclobutyl)-1,1-dimethylurea?
The canonical SMILES for 3-(3-methoxycyclobutyl)-1,1-dimethylurea is COC1CC(NC(=O)N(C)C)C1.
What is the InChIKey of 3-(3-methoxycyclobutyl)-1,1-dimethylurea?
The InChIKey is XFZXVIOJSURDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-10(2)8(11)9-6-4-7(5-6)12-3/h6-7H,4-5H2,1-3H3,(H,9,11).
What are the key properties of 3-(3-methoxycyclobutyl)-1,1-dimethylurea?
3-(3-methoxycyclobutyl)-1,1-dimethylurea has a molecular weight of 172.23 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxycyclobutyl)-1,1-dimethylurea is sourced from PubChem (CID 104581744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).