1-(4-hydroxy-1-phenylbutyl)-3-prop-2-enylurea

C14H20N2O2 — CID 111453791

IUPAC1-(4-hydroxy-1-phenylbutyl)-3-prop-2-enylurea
SMILESC=CCNC(=O)NC(CCCO)c1ccccc1
InChIInChI=1S/C14H20N2O2/c1-2-10-15-14(18)16-13(9-6-11-17)12-7-4-3-5-8-12/h2-5,7-8,13,17H,1,6,9-11H2,(H2,15,16,18)
InChIKeyDOGHBOZCVNXTFP-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.99
Rot. Bonds7

About 1-(4-hydroxy-1-phenylbutyl)-3-prop-2-enylurea

1-(4-hydroxy-1-phenylbutyl)-3-prop-2-enylurea (PubChem CID 111453791) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(4-hydroxy-1-phenylbutyl)-3-prop-2-enylurea.

Molecular Properties

Compound Name1-(4-hydroxy-1-phenylbutyl)-3-prop-2-enylurea
PubChem CID111453791
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-(4-hydroxy-1-phenylbutyl)-3-prop-2-enylurea
SMILESC=CCNC(=O)NC(CCCO)c1ccccc1
InChIInChI=1S/C14H20N2O2/c1-2-10-15-14(18)16-13(9-6-11-17)12-7-4-3-5-8-12/h2-5,7-8,13,17H,1,6,9-11H2,(H2,15,16,18)
InChIKeyDOGHBOZCVNXTFP-UHFFFAOYSA-N
XLogP1.99
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-phenyl-4-(prop-2-enylcarbamoylamino)butanoic acid
CID 61192607
1-(1-phenylbut-3-ynyl)-3-prop-2-enylurea
CID 75390293
1-(4-hydroxy-1-phenylbutyl)-3-[(4-methylphenyl)methyl]urea
CID 111450237
1-(4-hydroxy-1-phenylbutyl)-3-(2-piperidin-1-ylethyl)urea
CID 111453794
1-(4-hydroxy-1-phenylbutyl)-3-(2-methylcyclopropyl)urea
CID 111456098
1-(3,5-difluorophenyl)-3-(4-hydroxy-1-phenylbutyl)urea
CID 111452920
1-(4-hydroxy-1-phenylbutyl)-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 111454513
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-phenylurea
CID 111450283
1-(4-hydroxy-1-phenylbutyl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea
CID 111454047
1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-(4-hydroxy-1-phenylbutyl)urea
CID 111455415
1-(4-hydroxy-1-phenylbutyl)-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea
CID 111506869
1-(4-hydroxy-1-phenylbutyl)-3-(5-methylthiophen-2-yl)urea
CID 111486785

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-1-phenylbutyl)-3-prop-2-enylurea?
The IUPAC name of 1-(4-hydroxy-1-phenylbutyl)-3-prop-2-enylurea (CID 111453791) is 1-(4-hydroxy-1-phenylbutyl)-3-prop-2-enylurea.
What is the SMILES notation for 1-(4-hydroxy-1-phenylbutyl)-3-prop-2-enylurea?
The canonical SMILES for 1-(4-hydroxy-1-phenylbutyl)-3-prop-2-enylurea is C=CCNC(=O)NC(CCCO)c1ccccc1.
What is the InChIKey of 1-(4-hydroxy-1-phenylbutyl)-3-prop-2-enylurea?
The InChIKey is DOGHBOZCVNXTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-10-15-14(18)16-13(9-6-11-17)12-7-4-3-5-8-12/h2-5,7-8,13,17H,1,6,9-11H2,(H2,15,16,18).
What are the key properties of 1-(4-hydroxy-1-phenylbutyl)-3-prop-2-enylurea?
1-(4-hydroxy-1-phenylbutyl)-3-prop-2-enylurea has a molecular weight of 248.33 g/mol, XLogP of 1.99, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-1-phenylbutyl)-3-prop-2-enylurea is sourced from PubChem (CID 111453791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).