1-cyclobutyl-3-(4-hydroxy-1-phenylbutyl)-1-methylurea

C16H24N2O2 — CID 111506861

IUPAC1-cyclobutyl-3-(4-hydroxy-1-phenylbutyl)-1-methylurea
SMILESCN(C(=O)NC(CCCO)c1ccccc1)C1CCC1
InChIInChI=1S/C16H24N2O2/c1-18(14-9-5-10-14)16(20)17-15(11-6-12-19)13-7-3-2-4-8-13/h2-4,7-8,14-15,19H,5-6,9-12H2,1H3,(H,17,20)
InChIKeyPTFITIBHYIYEOS-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.69
Rot. Bonds6

About 1-cyclobutyl-3-(4-hydroxy-1-phenylbutyl)-1-methylurea

1-cyclobutyl-3-(4-hydroxy-1-phenylbutyl)-1-methylurea (PubChem CID 111506861) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-cyclobutyl-3-(4-hydroxy-1-phenylbutyl)-1-methylurea.

Molecular Properties

Compound Name1-cyclobutyl-3-(4-hydroxy-1-phenylbutyl)-1-methylurea
PubChem CID111506861
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-cyclobutyl-3-(4-hydroxy-1-phenylbutyl)-1-methylurea
SMILESCN(C(=O)NC(CCCO)c1ccccc1)C1CCC1
InChIInChI=1S/C16H24N2O2/c1-18(14-9-5-10-14)16(20)17-15(11-6-12-19)13-7-3-2-4-8-13/h2-4,7-8,14-15,19H,5-6,9-12H2,1H3,(H,17,20)
InChIKeyPTFITIBHYIYEOS-UHFFFAOYSA-N
XLogP2.69
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[cyclopentyl(methyl)carbamoyl]amino]-3-phenylpropanoic acid
CID 61193959
(2R)-2-[[cyclohexyl(methyl)carbamoyl]amino]-2-phenylacetic acid
CID 61191814
1-cyclohexyl-3-(4-hydroxy-2-phenylbutyl)-1-methylurea
CID 111455932
1-cyclobutyl-3-(4-hydroxy-2-phenylbutyl)-1-methylurea
CID 111506748
(2R)-2-cyclobutyl-N-[(1S)-4-hydroxy-1-phenylbutyl]pyrrolidine-1-carboxamide
CID 97215879
1-cyclohexyl-1-ethyl-3-(1-phenylbutyl)urea
CID 112806156
1-(4-hydroxy-1-phenylbutyl)-3-(2-methylcyclopropyl)urea
CID 111456098
3-(4-hydroxy-1-phenylbutyl)-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 111456188
3-ethyl-N-(4-hydroxy-1-phenylbutyl)piperidine-1-carboxamide
CID 111456099
4-[(4-hydroxy-1-phenylbutyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122003330
(2R)-2-[[cyclohexyl(methyl)carbamoyl]amino]propanoic acid
CID 78972171
N-cyclobutyl-N-(3-hydroxypropyl)-2-phenylpropanamide
CID 102978246

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(4-hydroxy-1-phenylbutyl)-1-methylurea?
The IUPAC name of 1-cyclobutyl-3-(4-hydroxy-1-phenylbutyl)-1-methylurea (CID 111506861) is 1-cyclobutyl-3-(4-hydroxy-1-phenylbutyl)-1-methylurea.
What is the SMILES notation for 1-cyclobutyl-3-(4-hydroxy-1-phenylbutyl)-1-methylurea?
The canonical SMILES for 1-cyclobutyl-3-(4-hydroxy-1-phenylbutyl)-1-methylurea is CN(C(=O)NC(CCCO)c1ccccc1)C1CCC1.
What is the InChIKey of 1-cyclobutyl-3-(4-hydroxy-1-phenylbutyl)-1-methylurea?
The InChIKey is PTFITIBHYIYEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-18(14-9-5-10-14)16(20)17-15(11-6-12-19)13-7-3-2-4-8-13/h2-4,7-8,14-15,19H,5-6,9-12H2,1H3,(H,17,20).
What are the key properties of 1-cyclobutyl-3-(4-hydroxy-1-phenylbutyl)-1-methylurea?
1-cyclobutyl-3-(4-hydroxy-1-phenylbutyl)-1-methylurea has a molecular weight of 276.38 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(4-hydroxy-1-phenylbutyl)-1-methylurea is sourced from PubChem (CID 111506861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).