1-cyclohex-3-en-1-yl-3-[[4-(2-hydroxyethyl)phenyl]methyl]urea

C16H22N2O2 — CID 154770875

IUPAC1-cyclohex-3-en-1-yl-3-[[4-(2-hydroxyethyl)phenyl]methyl]urea
SMILESO=C(NCc1ccc(CCO)cc1)NC1CC=CCC1
InChIInChI=1S/C16H22N2O2/c19-11-10-13-6-8-14(9-7-13)12-17-16(20)18-15-4-2-1-3-5-15/h1-2,6-9,15,19H,3-5,10-12H2,(H2,17,18,20)
InChIKeyFQSUUWGKHAUAER-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.13
Rot. Bonds5

About 1-cyclohex-3-en-1-yl-3-[[4-(2-hydroxyethyl)phenyl]methyl]urea

1-cyclohex-3-en-1-yl-3-[[4-(2-hydroxyethyl)phenyl]methyl]urea (PubChem CID 154770875) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-cyclohex-3-en-1-yl-3-[[4-(2-hydroxyethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-cyclohex-3-en-1-yl-3-[[4-(2-hydroxyethyl)phenyl]methyl]urea
PubChem CID154770875
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-cyclohex-3-en-1-yl-3-[[4-(2-hydroxyethyl)phenyl]methyl]urea
SMILESO=C(NCc1ccc(CCO)cc1)NC1CC=CCC1
InChIInChI=1S/C16H22N2O2/c19-11-10-13-6-8-14(9-7-13)12-17-16(20)18-15-4-2-1-3-5-15/h1-2,6-9,15,19H,3-5,10-12H2,(H2,17,18,20)
InChIKeyFQSUUWGKHAUAER-UHFFFAOYSA-N
XLogP2.13
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.13
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

1-[[4-(2-aminoethyl)phenyl]methyl]-3-cyclopropylurea
CID 55104129
1-[[4-(2-aminoethyl)phenyl]methyl]-3-cyclohexylurea
CID 62500632
1-cyclohex-3-en-1-yl-3-cyclopentylurea
CID 115640218
N-butyl-4-[(cyclopent-3-en-1-ylcarbamoylamino)methyl]benzamide
CID 71919386
1-[[4-(aminomethyl)phenyl]methyl]-3-cyclohexylurea
CID 54936547
5-[(cyclopent-3-en-1-ylcarbamoylamino)methyl]furan-2-carboxylic acid
CID 113475840
1-benzyl-3-cyclohex-3-en-1-yl-1-(3-hydroxypropyl)urea
CID 75429933
1-cyclopent-3-en-1-yl-3-[3-[4-(dimethylamino)phenyl]propyl]urea
CID 91644552
1-cyclohexyl-3-[(4-methoxyphenyl)methyl]urea
CID 854988
4-[(4-fluorophenyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 61190166
(1R,2S)-1-N-[(1R)-cyclohex-3-en-1-yl]-2-N-[(1S)-cyclohex-3-en-1-yl]cyclohex-4-ene-1,2-dicarboxamide
CID 97326490
4-[(cyclooctylcarbamoylamino)methyl]-N,N-dimethylbenzamide
CID 86992768

Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-3-en-1-yl-3-[[4-(2-hydroxyethyl)phenyl]methyl]urea?
The IUPAC name of 1-cyclohex-3-en-1-yl-3-[[4-(2-hydroxyethyl)phenyl]methyl]urea (CID 154770875) is 1-cyclohex-3-en-1-yl-3-[[4-(2-hydroxyethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-cyclohex-3-en-1-yl-3-[[4-(2-hydroxyethyl)phenyl]methyl]urea?
The canonical SMILES for 1-cyclohex-3-en-1-yl-3-[[4-(2-hydroxyethyl)phenyl]methyl]urea is O=C(NCc1ccc(CCO)cc1)NC1CC=CCC1.
What is the InChIKey of 1-cyclohex-3-en-1-yl-3-[[4-(2-hydroxyethyl)phenyl]methyl]urea?
The InChIKey is FQSUUWGKHAUAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-11-10-13-6-8-14(9-7-13)12-17-16(20)18-15-4-2-1-3-5-15/h1-2,6-9,15,19H,3-5,10-12H2,(H2,17,18,20).
What are the key properties of 1-cyclohex-3-en-1-yl-3-[[4-(2-hydroxyethyl)phenyl]methyl]urea?
1-cyclohex-3-en-1-yl-3-[[4-(2-hydroxyethyl)phenyl]methyl]urea has a molecular weight of 274.36 g/mol, XLogP of 2.13, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-3-en-1-yl-3-[[4-(2-hydroxyethyl)phenyl]methyl]urea is sourced from PubChem (CID 154770875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).