1-(cyclohex-3-en-1-ylmethyl)-3-ethyl-1-(3-morpholin-4-ylpropyl)urea

C17H31N3O2 — CID 5153495

IUPAC1-(cyclohex-3-en-1-ylmethyl)-3-ethyl-1-(3-morpholin-4-ylpropyl)urea
SMILESCCNC(=O)N(CCCN1CCOCC1)CC1CC=CCC1
InChIInChI=1S/C17H31N3O2/c1-2-18-17(21)20(15-16-7-4-3-5-8-16)10-6-9-19-11-13-22-14-12-19/h3-4,16H,2,5-15H2,1H3,(H,18,21)
InChIKeySGXFEKCBYHDMPO-UHFFFAOYSA-N
MW309.45 g/mol
LogP2.10
Rot. Bonds7

About 1-(cyclohex-3-en-1-ylmethyl)-3-ethyl-1-(3-morpholin-4-ylpropyl)urea

1-(cyclohex-3-en-1-ylmethyl)-3-ethyl-1-(3-morpholin-4-ylpropyl)urea (PubChem CID 5153495) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is 1-(cyclohex-3-en-1-ylmethyl)-3-ethyl-1-(3-morpholin-4-ylpropyl)urea.

Molecular Properties

Compound Name1-(cyclohex-3-en-1-ylmethyl)-3-ethyl-1-(3-morpholin-4-ylpropyl)urea
PubChem CID5153495
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC Name1-(cyclohex-3-en-1-ylmethyl)-3-ethyl-1-(3-morpholin-4-ylpropyl)urea
SMILESCCNC(=O)N(CCCN1CCOCC1)CC1CC=CCC1
InChIInChI=1S/C17H31N3O2/c1-2-18-17(21)20(15-16-7-4-3-5-8-16)10-6-9-19-11-13-22-14-12-19/h3-4,16H,2,5-15H2,1H3,(H,18,21)
InChIKeySGXFEKCBYHDMPO-UHFFFAOYSA-N
XLogP2.10
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(cyclohex-3-en-1-ylmethyl)-3-ethyl-1-(3-morpholin-4-ylpropyl)urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohex-3-en-1-ylmethyl)-3-ethyl-1-(3-morpholin-4-ylpropyl)urea?
The IUPAC name of 1-(cyclohex-3-en-1-ylmethyl)-3-ethyl-1-(3-morpholin-4-ylpropyl)urea (CID 5153495) is 1-(cyclohex-3-en-1-ylmethyl)-3-ethyl-1-(3-morpholin-4-ylpropyl)urea.
What is the SMILES notation for 1-(cyclohex-3-en-1-ylmethyl)-3-ethyl-1-(3-morpholin-4-ylpropyl)urea?
The canonical SMILES for 1-(cyclohex-3-en-1-ylmethyl)-3-ethyl-1-(3-morpholin-4-ylpropyl)urea is CCNC(=O)N(CCCN1CCOCC1)CC1CC=CCC1.
What is the InChIKey of 1-(cyclohex-3-en-1-ylmethyl)-3-ethyl-1-(3-morpholin-4-ylpropyl)urea?
The InChIKey is SGXFEKCBYHDMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-2-18-17(21)20(15-16-7-4-3-5-8-16)10-6-9-19-11-13-22-14-12-19/h3-4,16H,2,5-15H2,1H3,(H,18,21).
What are the key properties of 1-(cyclohex-3-en-1-ylmethyl)-3-ethyl-1-(3-morpholin-4-ylpropyl)urea?
1-(cyclohex-3-en-1-ylmethyl)-3-ethyl-1-(3-morpholin-4-ylpropyl)urea has a molecular weight of 309.45 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohex-3-en-1-ylmethyl)-3-ethyl-1-(3-morpholin-4-ylpropyl)urea is sourced from PubChem (CID 5153495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).