1-(cyclohex-3-en-1-ylmethyl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]urea

C18H24N2O3 — CID 60591630

IUPAC1-(cyclohex-3-en-1-ylmethyl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]urea
SMILESCC(NC(=O)NCC1CC=CCC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H24N2O3/c1-13(15-7-8-16-17(11-15)23-10-9-22-16)20-18(21)19-12-14-5-3-2-4-6-14/h2-3,7-8,11,13-14H,4-6,9-10,12H2,1H3,(H2,19,20,21)
InChIKeyGEIYNQJZMBVTOB-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.17
Rot. Bonds4

About 1-(cyclohex-3-en-1-ylmethyl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]urea

1-(cyclohex-3-en-1-ylmethyl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]urea (PubChem CID 60591630) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-(cyclohex-3-en-1-ylmethyl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]urea.

Molecular Properties

Compound Name1-(cyclohex-3-en-1-ylmethyl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]urea
PubChem CID60591630
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name1-(cyclohex-3-en-1-ylmethyl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]urea
SMILESCC(NC(=O)NCC1CC=CCC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H24N2O3/c1-13(15-7-8-16-17(11-15)23-10-9-22-16)20-18(21)19-12-14-5-3-2-4-6-14/h2-3,7-8,11,13-14H,4-6,9-10,12H2,1H3,(H2,19,20,21)
InChIKeyGEIYNQJZMBVTOB-UHFFFAOYSA-N
XLogP3.17
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(cyclohex-3-en-1-ylmethyl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 29024878
1-(cyclohex-3-en-1-ylmethyl)-3-[1-(2-ethyl-3-oxo-4H-1,4-benzoxazin-7-yl)ethyl]urea
CID 127386032
1-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-propylurea
CID 29024804
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[1-(4-propan-2-ylphenyl)ethyl]urea
CID 55473711
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]urea
CID 48964603
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea
CID 49260949
(3S)-3-(1,3-benzodioxol-5-yl)-3-(cyclohex-3-en-1-ylmethylamino)propanoic acid
CID 166253828
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(4-methylcyclohexyl)urea
CID 75833131
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(furan-3-ylmethyl)urea
CID 51083677
1-(cyclohex-3-en-1-ylmethyl)-3-[1-(4-methoxyphenyl)propyl]urea
CID 60593300
1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[(2S)-2-morpholin-4-ylpropyl]urea
CID 94028425
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 51077475

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohex-3-en-1-ylmethyl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]urea?
The IUPAC name of 1-(cyclohex-3-en-1-ylmethyl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]urea (CID 60591630) is 1-(cyclohex-3-en-1-ylmethyl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]urea.
What is the SMILES notation for 1-(cyclohex-3-en-1-ylmethyl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]urea?
The canonical SMILES for 1-(cyclohex-3-en-1-ylmethyl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]urea is CC(NC(=O)NCC1CC=CCC1)c1ccc2c(c1)OCCO2.
What is the InChIKey of 1-(cyclohex-3-en-1-ylmethyl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]urea?
The InChIKey is GEIYNQJZMBVTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-13(15-7-8-16-17(11-15)23-10-9-22-16)20-18(21)19-12-14-5-3-2-4-6-14/h2-3,7-8,11,13-14H,4-6,9-10,12H2,1H3,(H2,19,20,21).
What are the key properties of 1-(cyclohex-3-en-1-ylmethyl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]urea?
1-(cyclohex-3-en-1-ylmethyl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]urea has a molecular weight of 316.40 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohex-3-en-1-ylmethyl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]urea is sourced from PubChem (CID 60591630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).