1-(cyclohex-3-en-1-ylmethyl)-3-cyclohexyl-1-(oxolan-2-ylmethyl)urea

C19H32N2O2 — CID 5005496

IUPAC1-(cyclohex-3-en-1-ylmethyl)-3-cyclohexyl-1-(oxolan-2-ylmethyl)urea
SMILESO=C(NC1CCCCC1)N(CC1CC=CCC1)CC1CCCO1
InChIInChI=1S/C19H32N2O2/c22-19(20-17-10-5-2-6-11-17)21(15-18-12-7-13-23-18)14-16-8-3-1-4-9-16/h1,3,16-18H,2,4-15H2,(H,20,22)
InChIKeyUHEOBVWICNFFAY-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.87
Rot. Bonds5

About 1-(cyclohex-3-en-1-ylmethyl)-3-cyclohexyl-1-(oxolan-2-ylmethyl)urea

1-(cyclohex-3-en-1-ylmethyl)-3-cyclohexyl-1-(oxolan-2-ylmethyl)urea (PubChem CID 5005496) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 1-(cyclohex-3-en-1-ylmethyl)-3-cyclohexyl-1-(oxolan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(cyclohex-3-en-1-ylmethyl)-3-cyclohexyl-1-(oxolan-2-ylmethyl)urea
PubChem CID5005496
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Name1-(cyclohex-3-en-1-ylmethyl)-3-cyclohexyl-1-(oxolan-2-ylmethyl)urea
SMILESO=C(NC1CCCCC1)N(CC1CC=CCC1)CC1CCCO1
InChIInChI=1S/C19H32N2O2/c22-19(20-17-10-5-2-6-11-17)21(15-18-12-7-13-23-18)14-16-8-3-1-4-9-16/h1,3,16-18H,2,4-15H2,(H,20,22)
InChIKeyUHEOBVWICNFFAY-UHFFFAOYSA-N
XLogP3.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(cyclohex-3-en-1-ylmethyl)-3-cyclohexyl-1-(oxolan-2-ylmethyl)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-(cyclohex-3-en-1-ylmethyl)-1-(cyclohexylmethyl)-3-(oxolan-2-yl)urea
CID 5215461
3-cyclopropyl-1-ethyl-1-(oxolan-2-ylmethyl)urea
CID 115590775
3-[cyclohex-3-ene-1-carbonyl(oxolan-2-ylmethyl)amino]propanoic acid
CID 119209691
[3-[2-[[(1R)-cyclohex-3-en-1-yl]methyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethoxy]phenyl]phosphonic acid
CID 40561038
1-(cyclohex-3-en-1-ylmethyl)-1-(oxolan-2-ylmethyl)-3-pyridin-3-ylthiourea
CID 17370487
3-[cyclopent-3-ene-1-carbonyl-[[(2S)-oxolan-2-yl]methyl]amino]propanoic acid
CID 124703166
3-cyclohexyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 25452444
4-[[(1R)-cyclohex-3-en-1-yl]methyl-[[(2R)-oxolan-2-yl]methyl]sulfamoyl]benzoic acid
CID 1083177
3-cyclohexyl-1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 1138187
3-cyclohexyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 1138180
3-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-1,1-bis[[(2S)-oxolan-2-yl]methyl]urea
CID 97016848
3-cyclohexyl-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 1138179

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohex-3-en-1-ylmethyl)-3-cyclohexyl-1-(oxolan-2-ylmethyl)urea?
The IUPAC name of 1-(cyclohex-3-en-1-ylmethyl)-3-cyclohexyl-1-(oxolan-2-ylmethyl)urea (CID 5005496) is 1-(cyclohex-3-en-1-ylmethyl)-3-cyclohexyl-1-(oxolan-2-ylmethyl)urea.
What is the SMILES notation for 1-(cyclohex-3-en-1-ylmethyl)-3-cyclohexyl-1-(oxolan-2-ylmethyl)urea?
The canonical SMILES for 1-(cyclohex-3-en-1-ylmethyl)-3-cyclohexyl-1-(oxolan-2-ylmethyl)urea is O=C(NC1CCCCC1)N(CC1CC=CCC1)CC1CCCO1.
What is the InChIKey of 1-(cyclohex-3-en-1-ylmethyl)-3-cyclohexyl-1-(oxolan-2-ylmethyl)urea?
The InChIKey is UHEOBVWICNFFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c22-19(20-17-10-5-2-6-11-17)21(15-18-12-7-13-23-18)14-16-8-3-1-4-9-16/h1,3,16-18H,2,4-15H2,(H,20,22).
What are the key properties of 1-(cyclohex-3-en-1-ylmethyl)-3-cyclohexyl-1-(oxolan-2-ylmethyl)urea?
1-(cyclohex-3-en-1-ylmethyl)-3-cyclohexyl-1-(oxolan-2-ylmethyl)urea has a molecular weight of 320.48 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohex-3-en-1-ylmethyl)-3-cyclohexyl-1-(oxolan-2-ylmethyl)urea is sourced from PubChem (CID 5005496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).