1-cyclobutyl-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea

C12H22N2O2 — CID 103793976

IUPAC1-cyclobutyl-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea
SMILESCOCCC1(CNC(=O)NC2CCC2)CC1
InChIInChI=1S/C12H22N2O2/c1-16-8-7-12(5-6-12)9-13-11(15)14-10-3-2-4-10/h10H,2-9H2,1H3,(H2,13,14,15)
InChIKeyCTJLNKWLEWJJSL-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.65
Rot. Bonds6

About 1-cyclobutyl-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea

1-cyclobutyl-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea (PubChem CID 103793976) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-cyclobutyl-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea.

Molecular Properties

Compound Name1-cyclobutyl-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea
PubChem CID103793976
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-cyclobutyl-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea
SMILESCOCCC1(CNC(=O)NC2CCC2)CC1
InChIInChI=1S/C12H22N2O2/c1-16-8-7-12(5-6-12)9-13-11(15)14-10-3-2-4-10/h10H,2-9H2,1H3,(H2,13,14,15)
InChIKeyCTJLNKWLEWJJSL-UHFFFAOYSA-N
XLogP1.65
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea
CID 103793592
4-[[1-(2-methoxyethyl)cyclopentyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122006589
1-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[[1-(2-methoxyethyl)cyclobutyl]methyl]urea
CID 97062806
1-cyclobutyl-3-[(1-hydroxycyclopentyl)methyl]urea
CID 115642235
1-cyclobutyl-3-(4-methoxybutyl)urea
CID 84519072
1-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylurea
CID 71915122
(E)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]but-2-enamide
CID 103800053
3-cyclopropyl-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]cyclohexan-1-amine
CID 103903916
2-(cyclopropylmethylamino)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]acetamide
CID 114112932
1-cyclododecyl-3-(2-methoxyethoxymethyl)urea
CID 108894366
(1R,6S)-N-[[1-(2-methoxyethyl)cyclohexyl]methyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 99786429
3-[[1-(2-methoxyethyl)cyclohexyl]methylcarbamoylamino]propanoic acid
CID 122010715

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea?
The IUPAC name of 1-cyclobutyl-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea (CID 103793976) is 1-cyclobutyl-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea.
What is the SMILES notation for 1-cyclobutyl-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea?
The canonical SMILES for 1-cyclobutyl-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea is COCCC1(CNC(=O)NC2CCC2)CC1.
What is the InChIKey of 1-cyclobutyl-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea?
The InChIKey is CTJLNKWLEWJJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-16-8-7-12(5-6-12)9-13-11(15)14-10-3-2-4-10/h10H,2-9H2,1H3,(H2,13,14,15).
What are the key properties of 1-cyclobutyl-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea?
1-cyclobutyl-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea has a molecular weight of 226.32 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea is sourced from PubChem (CID 103793976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).