1-(1-cyclobutylethyl)-3-[[4-(oxan-4-yloxymethyl)phenyl]methyl]urea

C20H30N2O3 — CID 84590236

IUPAC1-(1-cyclobutylethyl)-3-[[4-(oxan-4-yloxymethyl)phenyl]methyl]urea
SMILESCC(NC(=O)NCc1ccc(COC2CCOCC2)cc1)C1CCC1
InChIInChI=1S/C20H30N2O3/c1-15(18-3-2-4-18)22-20(23)21-13-16-5-7-17(8-6-16)14-25-19-9-11-24-12-10-19/h5-8,15,18-19H,2-4,9-14H2,1H3,(H2,21,22,23)
InChIKeyUVTVDVGRJNDOEV-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.37
Rot. Bonds7

About 1-(1-cyclobutylethyl)-3-[[4-(oxan-4-yloxymethyl)phenyl]methyl]urea

1-(1-cyclobutylethyl)-3-[[4-(oxan-4-yloxymethyl)phenyl]methyl]urea (PubChem CID 84590236) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-(1-cyclobutylethyl)-3-[[4-(oxan-4-yloxymethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(1-cyclobutylethyl)-3-[[4-(oxan-4-yloxymethyl)phenyl]methyl]urea
PubChem CID84590236
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name1-(1-cyclobutylethyl)-3-[[4-(oxan-4-yloxymethyl)phenyl]methyl]urea
SMILESCC(NC(=O)NCc1ccc(COC2CCOCC2)cc1)C1CCC1
InChIInChI=1S/C20H30N2O3/c1-15(18-3-2-4-18)22-20(23)21-13-16-5-7-17(8-6-16)14-25-19-9-11-24-12-10-19/h5-8,15,18-19H,2-4,9-14H2,1H3,(H2,21,22,23)
InChIKeyUVTVDVGRJNDOEV-UHFFFAOYSA-N
XLogP3.37
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(1-cyclobutylethyl)-3-[[4-(oxan-4-yloxymethyl)phenyl]methyl]urea with MolForge

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Related Compounds

1-[(4-cyclopentyloxyphenyl)methyl]-3-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]urea
CID 125130781
1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-[(1S)-1-(oxan-4-yl)ethyl]urea
CID 129381997
2-methyl-3-[methyl-[[4-(oxan-4-yloxymethyl)phenyl]methylcarbamoyl]amino]propanoic acid
CID 122007538
5-[[4-(oxan-4-yloxymethyl)phenyl]methylcarbamoyl]thiophene-2-carboxylic acid
CID 120695960
(2S,4S)-2-methyl-N-[[4-(oxan-4-yloxymethyl)phenyl]methyl]piperidine-4-carboxamide
CID 120639837
1-(1-cyclopropylethyl)-3-[[4-[(dimethylamino)methyl]phenyl]methyl]urea
CID 47221353
4-[[[4-(oxan-4-yloxymethyl)phenyl]methylamino]methyl]benzoic acid
CID 122032102
2-[4-(oxan-4-yloxymethyl)phenyl]propanehydrazide
CID 105351515
5-[[4-(oxan-4-yloxymethyl)phenyl]methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120695954
2-[4-(oxan-4-yloxymethyl)phenyl]acetic acid
CID 105344934
3-hydroxy-N-[[4-(oxan-4-yloxymethyl)phenyl]methyl]pyridine-4-carboxamide
CID 126784533
1-[(1R)-1-(oxan-4-yl)ethyl]-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
CID 99815147

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclobutylethyl)-3-[[4-(oxan-4-yloxymethyl)phenyl]methyl]urea?
The IUPAC name of 1-(1-cyclobutylethyl)-3-[[4-(oxan-4-yloxymethyl)phenyl]methyl]urea (CID 84590236) is 1-(1-cyclobutylethyl)-3-[[4-(oxan-4-yloxymethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-(1-cyclobutylethyl)-3-[[4-(oxan-4-yloxymethyl)phenyl]methyl]urea?
The canonical SMILES for 1-(1-cyclobutylethyl)-3-[[4-(oxan-4-yloxymethyl)phenyl]methyl]urea is CC(NC(=O)NCc1ccc(COC2CCOCC2)cc1)C1CCC1.
What is the InChIKey of 1-(1-cyclobutylethyl)-3-[[4-(oxan-4-yloxymethyl)phenyl]methyl]urea?
The InChIKey is UVTVDVGRJNDOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-15(18-3-2-4-18)22-20(23)21-13-16-5-7-17(8-6-16)14-25-19-9-11-24-12-10-19/h5-8,15,18-19H,2-4,9-14H2,1H3,(H2,21,22,23).
What are the key properties of 1-(1-cyclobutylethyl)-3-[[4-(oxan-4-yloxymethyl)phenyl]methyl]urea?
1-(1-cyclobutylethyl)-3-[[4-(oxan-4-yloxymethyl)phenyl]methyl]urea has a molecular weight of 346.47 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclobutylethyl)-3-[[4-(oxan-4-yloxymethyl)phenyl]methyl]urea is sourced from PubChem (CID 84590236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).