3-[3-(4-hydroxyphenyl)propyl]-1-methyl-1-prop-2-enylurea

C14H20N2O2 — CID 86802436

IUPAC3-[3-(4-hydroxyphenyl)propyl]-1-methyl-1-prop-2-enylurea
SMILESC=CCN(C)C(=O)NCCCc1ccc(O)cc1
InChIInChI=1S/C14H20N2O2/c1-3-11-16(2)14(18)15-10-4-5-12-6-8-13(17)9-7-12/h3,6-9,17H,1,4-5,10-11H2,2H3,(H,15,18)
InChIKeyZHDAUIOMUHCPDN-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.15
Rot. Bonds6

About 3-[3-(4-hydroxyphenyl)propyl]-1-methyl-1-prop-2-enylurea

3-[3-(4-hydroxyphenyl)propyl]-1-methyl-1-prop-2-enylurea (PubChem CID 86802436) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-[3-(4-hydroxyphenyl)propyl]-1-methyl-1-prop-2-enylurea.

Molecular Properties

Compound Name3-[3-(4-hydroxyphenyl)propyl]-1-methyl-1-prop-2-enylurea
PubChem CID86802436
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-[3-(4-hydroxyphenyl)propyl]-1-methyl-1-prop-2-enylurea
SMILESC=CCN(C)C(=O)NCCCc1ccc(O)cc1
InChIInChI=1S/C14H20N2O2/c1-3-11-16(2)14(18)15-10-4-5-12-6-8-13(17)9-7-12/h3,6-9,17H,1,4-5,10-11H2,2H3,(H,15,18)
InChIKeyZHDAUIOMUHCPDN-UHFFFAOYSA-N
XLogP2.15
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(prop-1-en-2-ylamino)propyl]phenol
CID 170569538
1-[(4-bromophenyl)methyl]-1-[2-(dimethylamino)ethyl]-3-[3-(4-hydroxyphenyl)propyl]urea
CID 86973334
N-[3-[4-(dimethylamino)phenyl]propyl]-N'-prop-2-enyloxamide
CID 16891976
1-methyl-3-[2-(3-nitrophenyl)ethyl]-1-prop-2-enylurea
CID 91649765
1-[3-(4-hydroxyphenyl)propyl]-3-tetradecylurea
CID 19597070
1-[3-(4-hydroxyphenyl)propyl]-3-tridecylurea
CID 19597044
N-dodecyl-N'-[3-(4-hydroxyphenyl)propyl]oxamide
CID 19597062
1-hexadecyl-3-[3-(4-hydroxyphenyl)propyl]urea
CID 19597093
1-[3-(4-hydroxyphenyl)propyl]-3-(1-hydroxypropan-2-yl)urea
CID 111428407
1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methyl]-1-prop-2-enylurea
CID 111424142
4-[3-[3-(4-hydroxyphenyl)propylamino]propyl]phenol
CID 101010463
1-decyl-3-[10-(4-hydroxyphenyl)decyl]urea
CID 18183954

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-hydroxyphenyl)propyl]-1-methyl-1-prop-2-enylurea?
The IUPAC name of 3-[3-(4-hydroxyphenyl)propyl]-1-methyl-1-prop-2-enylurea (CID 86802436) is 3-[3-(4-hydroxyphenyl)propyl]-1-methyl-1-prop-2-enylurea.
What is the SMILES notation for 3-[3-(4-hydroxyphenyl)propyl]-1-methyl-1-prop-2-enylurea?
The canonical SMILES for 3-[3-(4-hydroxyphenyl)propyl]-1-methyl-1-prop-2-enylurea is C=CCN(C)C(=O)NCCCc1ccc(O)cc1.
What is the InChIKey of 3-[3-(4-hydroxyphenyl)propyl]-1-methyl-1-prop-2-enylurea?
The InChIKey is ZHDAUIOMUHCPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-11-16(2)14(18)15-10-4-5-12-6-8-13(17)9-7-12/h3,6-9,17H,1,4-5,10-11H2,2H3,(H,15,18).
What are the key properties of 3-[3-(4-hydroxyphenyl)propyl]-1-methyl-1-prop-2-enylurea?
3-[3-(4-hydroxyphenyl)propyl]-1-methyl-1-prop-2-enylurea has a molecular weight of 248.33 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-hydroxyphenyl)propyl]-1-methyl-1-prop-2-enylurea is sourced from PubChem (CID 86802436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).