1-cyclohex-3-en-1-yl-3-(2-hydroxy-2-propylpentyl)urea

C15H28N2O2 — CID 111438902

IUPAC1-cyclohex-3-en-1-yl-3-(2-hydroxy-2-propylpentyl)urea
SMILESCCCC(O)(CCC)CNC(=O)NC1CC=CCC1
InChIInChI=1S/C15H28N2O2/c1-3-10-15(19,11-4-2)12-16-14(18)17-13-8-6-5-7-9-13/h5-6,13,19H,3-4,7-12H2,1-2H3,(H2,16,17,18)
InChIKeyVQZJEOJAUPYXTR-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.73
Rot. Bonds7

About 1-cyclohex-3-en-1-yl-3-(2-hydroxy-2-propylpentyl)urea

1-cyclohex-3-en-1-yl-3-(2-hydroxy-2-propylpentyl)urea (PubChem CID 111438902) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-cyclohex-3-en-1-yl-3-(2-hydroxy-2-propylpentyl)urea.

Molecular Properties

Compound Name1-cyclohex-3-en-1-yl-3-(2-hydroxy-2-propylpentyl)urea
PubChem CID111438902
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-cyclohex-3-en-1-yl-3-(2-hydroxy-2-propylpentyl)urea
SMILESCCCC(O)(CCC)CNC(=O)NC1CC=CCC1
InChIInChI=1S/C15H28N2O2/c1-3-10-15(19,11-4-2)12-16-14(18)17-13-8-6-5-7-9-13/h5-6,13,19H,3-4,7-12H2,1-2H3,(H2,16,17,18)
InChIKeyVQZJEOJAUPYXTR-UHFFFAOYSA-N
XLogP2.73
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.73
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-[(1S)-cyclohex-3-en-1-yl]-3-[(3R)-3-hydroxy-2,2,4-trimethylpentyl]urea
CID 97326679
1-cyclobutyl-3-(2-ethyl-2-hydroxybutyl)urea
CID 115642262
2-cyclopent-2-en-1-yl-N-(2-hydroxy-2-propylpentyl)acetamide
CID 111444858
1-cyclohex-3-en-1-yl-3-cyclopentylurea
CID 115640218
1-cyclohex-3-en-1-yl-3-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]urea
CID 111435079
1-[(1S)-cyclohex-3-en-1-yl]-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 129331428
1-cyclohex-3-en-1-yl-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 129000272
N-(2-hydroxy-2-propylpentyl)cyclopropanecarboxamide
CID 111444767
1-(2-ethyl-2-hydroxybutyl)-3-(1-propylpiperidin-4-yl)urea
CID 111508133
N-(2-hydroxy-2-propylpentyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 111750779
1-cyclohex-3-en-1-yl-3-[[4-(2-hydroxyethyl)phenyl]methyl]urea
CID 154770875
3-[[(1R)-cyclohex-3-en-1-yl]amino]-2,2-dimethyl-3-oxopropanoic acid
CID 154872471

Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-3-en-1-yl-3-(2-hydroxy-2-propylpentyl)urea?
The IUPAC name of 1-cyclohex-3-en-1-yl-3-(2-hydroxy-2-propylpentyl)urea (CID 111438902) is 1-cyclohex-3-en-1-yl-3-(2-hydroxy-2-propylpentyl)urea.
What is the SMILES notation for 1-cyclohex-3-en-1-yl-3-(2-hydroxy-2-propylpentyl)urea?
The canonical SMILES for 1-cyclohex-3-en-1-yl-3-(2-hydroxy-2-propylpentyl)urea is CCCC(O)(CCC)CNC(=O)NC1CC=CCC1.
What is the InChIKey of 1-cyclohex-3-en-1-yl-3-(2-hydroxy-2-propylpentyl)urea?
The InChIKey is VQZJEOJAUPYXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-3-10-15(19,11-4-2)12-16-14(18)17-13-8-6-5-7-9-13/h5-6,13,19H,3-4,7-12H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-cyclohex-3-en-1-yl-3-(2-hydroxy-2-propylpentyl)urea?
1-cyclohex-3-en-1-yl-3-(2-hydroxy-2-propylpentyl)urea has a molecular weight of 268.40 g/mol, XLogP of 2.73, 7 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-(2-hydroxy-2-propylpentyl)urea is sourced from PubChem (CID 111438902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).