1-Hexyl-1,3-dimethyl-3-(2-morpholin-4-ylethyl)urea

C15H31N3O2 — CID 20303046

IUPAC1-hexyl-1,3-dimethyl-3-(2-morpholin-4-ylethyl)urea
SMILESCCCCCCN(C)C(=O)N(C)CCN1CCOCC1
InChIInChI=1S/C15H31N3O2/c1-4-5-6-7-8-16(2)15(19)17(3)9-10-18-11-13-20-14-12-18/h4-14H2,1-3H3
InChIKeyHROBJYUFMSMWGP-UHFFFAOYSA-N
MW285.43 g/mol
LogP1.70
Rot. Bonds8

About 1-Hexyl-1,3-dimethyl-3-(2-morpholin-4-ylethyl)urea

1-Hexyl-1,3-dimethyl-3-(2-morpholin-4-ylethyl)urea (PubChem CID 20303046) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is 1-hexyl-1,3-dimethyl-3-(2-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name1-Hexyl-1,3-dimethyl-3-(2-morpholin-4-ylethyl)urea
PubChem CID20303046
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Name1-hexyl-1,3-dimethyl-3-(2-morpholin-4-ylethyl)urea
SMILESCCCCCCN(C)C(=O)N(C)CCN1CCOCC1
InChIInChI=1S/C15H31N3O2/c1-4-5-6-7-8-16(2)15(19)17(3)9-10-18-11-13-20-14-12-18/h4-14H2,1-3H3
InChIKeyHROBJYUFMSMWGP-UHFFFAOYSA-N
XLogP1.70
TPSA36.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity268

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-Hexyl-1,3-dimethyl-3-(2-morpholin-4-ylethyl)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

CID 1632256
CID 1632256
CID 2880546
CID 2880546
CID 669647
CID 669647
CID 3765981
CID 3765981
CID 669640
CID 669640
CID 75500165
CID 75500165
CID 86768181
CID 86768181
CID 3410819
CID 3410819
CID 3411411
CID 3411411
CID 3565093
CID 3565093
CID 3765480
CID 3765480
CID 4626364
CID 4626364

Frequently Asked Questions

What is the IUPAC name of 1-Hexyl-1,3-dimethyl-3-(2-morpholin-4-ylethyl)urea?
The IUPAC name of 1-Hexyl-1,3-dimethyl-3-(2-morpholin-4-ylethyl)urea (CID 20303046) is 1-hexyl-1,3-dimethyl-3-(2-morpholin-4-ylethyl)urea.
What is the SMILES notation for 1-Hexyl-1,3-dimethyl-3-(2-morpholin-4-ylethyl)urea?
The canonical SMILES for 1-Hexyl-1,3-dimethyl-3-(2-morpholin-4-ylethyl)urea is CCCCCCN(C)C(=O)N(C)CCN1CCOCC1.
What is the InChIKey of 1-Hexyl-1,3-dimethyl-3-(2-morpholin-4-ylethyl)urea?
The InChIKey is HROBJYUFMSMWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-4-5-6-7-8-16(2)15(19)17(3)9-10-18-11-13-20-14-12-18/h4-14H2,1-3H3.
What are the key properties of 1-Hexyl-1,3-dimethyl-3-(2-morpholin-4-ylethyl)urea?
1-Hexyl-1,3-dimethyl-3-(2-morpholin-4-ylethyl)urea has a molecular weight of 285.43 g/mol, XLogP of 1.70, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-Hexyl-1,3-dimethyl-3-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 20303046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).