3-diazo-4-(2,5-dibutoxyphenyl)morpholine

C18H27N3O3 — CID 54303007

IUPAC3-diazo-4-(2,5-dibutoxyphenyl)morpholine
SMILESCCCCOc1ccc(OCCCC)c(N2CCOCC2=[N+]=[N-])c1
InChIInChI=1S/C18H27N3O3/c1-3-5-10-23-15-7-8-17(24-11-6-4-2)16(13-15)21-9-12-22-14-18(21)20-19/h7-8,13H,3-6,9-12,14H2,1-2H3
InChIKeySFOFNAVPZDTIAX-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.51
Rot. Bonds9

About 3-diazo-4-(2,5-dibutoxyphenyl)morpholine

3-diazo-4-(2,5-dibutoxyphenyl)morpholine (PubChem CID 54303007) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 3-diazo-4-(2,5-dibutoxyphenyl)morpholine.

Molecular Properties

Compound Name3-diazo-4-(2,5-dibutoxyphenyl)morpholine
PubChem CID54303007
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name3-diazo-4-(2,5-dibutoxyphenyl)morpholine
SMILESCCCCOc1ccc(OCCCC)c(N2CCOCC2=[N+]=[N-])c1
InChIInChI=1S/C18H27N3O3/c1-3-5-10-23-15-7-8-17(24-11-6-4-2)16(13-15)21-9-12-22-14-18(21)20-19/h7-8,13H,3-6,9-12,14H2,1-2H3
InChIKeySFOFNAVPZDTIAX-UHFFFAOYSA-N
XLogP3.51
TPSA67.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 3-diazo-4-(2,5-dibutoxyphenyl)morpholine 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 3-diazo-4-(2,5-dibutoxyphenyl)morpholine?
The IUPAC name of 3-diazo-4-(2,5-dibutoxyphenyl)morpholine (CID 54303007) is 3-diazo-4-(2,5-dibutoxyphenyl)morpholine.
What is the SMILES notation for 3-diazo-4-(2,5-dibutoxyphenyl)morpholine?
The canonical SMILES for 3-diazo-4-(2,5-dibutoxyphenyl)morpholine is CCCCOc1ccc(OCCCC)c(N2CCOCC2=[N+]=[N-])c1.
What is the InChIKey of 3-diazo-4-(2,5-dibutoxyphenyl)morpholine?
The InChIKey is SFOFNAVPZDTIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-3-5-10-23-15-7-8-17(24-11-6-4-2)16(13-15)21-9-12-22-14-18(21)20-19/h7-8,13H,3-6,9-12,14H2,1-2H3.
What are the key properties of 3-diazo-4-(2,5-dibutoxyphenyl)morpholine?
3-diazo-4-(2,5-dibutoxyphenyl)morpholine has a molecular weight of 333.43 g/mol, XLogP of 3.51, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diazo-4-(2,5-dibutoxyphenyl)morpholine is sourced from PubChem (CID 54303007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).