2,2,3,3,5,5,6,6-octamethyl-4-(4-nitrophenyl)morpholine

C18H28N2O3 — CID 118584178

IUPAC2,2,3,3,5,5,6,6-octamethyl-4-(4-nitrophenyl)morpholine
SMILESCC1(C)OC(C)(C)C(C)(C)N(c2ccc([N+](=O)[O-])cc2)C1(C)C
InChIInChI=1S/C18H28N2O3/c1-15(2)17(5,6)23-18(7,8)16(3,4)19(15)13-9-11-14(12-10-13)20(21)22/h9-12H,1-8H3
InChIKeySRXNCHNDXSKTMU-UHFFFAOYSA-N
MW320.43 g/mol
LogP4.55
Rot. Bonds2

About 2,2,3,3,5,5,6,6-octamethyl-4-(4-nitrophenyl)morpholine

2,2,3,3,5,5,6,6-octamethyl-4-(4-nitrophenyl)morpholine (PubChem CID 118584178) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 2,2,3,3,5,5,6,6-octamethyl-4-(4-nitrophenyl)morpholine.

Molecular Properties

Compound Name2,2,3,3,5,5,6,6-octamethyl-4-(4-nitrophenyl)morpholine
PubChem CID118584178
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name2,2,3,3,5,5,6,6-octamethyl-4-(4-nitrophenyl)morpholine
SMILESCC1(C)OC(C)(C)C(C)(C)N(c2ccc([N+](=O)[O-])cc2)C1(C)C
InChIInChI=1S/C18H28N2O3/c1-15(2)17(5,6)23-18(7,8)16(3,4)19(15)13-9-11-14(12-10-13)20(21)22/h9-12H,1-8H3
InChIKeySRXNCHNDXSKTMU-UHFFFAOYSA-N
XLogP4.55
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2,2,3,3,5,5,6,6-octamethyl-4-(4-nitrophenyl)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 2,2,3,3,5,5,6,6-octamethyl-4-(4-nitrophenyl)morpholine?
The IUPAC name of 2,2,3,3,5,5,6,6-octamethyl-4-(4-nitrophenyl)morpholine (CID 118584178) is 2,2,3,3,5,5,6,6-octamethyl-4-(4-nitrophenyl)morpholine.
What is the SMILES notation for 2,2,3,3,5,5,6,6-octamethyl-4-(4-nitrophenyl)morpholine?
The canonical SMILES for 2,2,3,3,5,5,6,6-octamethyl-4-(4-nitrophenyl)morpholine is CC1(C)OC(C)(C)C(C)(C)N(c2ccc([N+](=O)[O-])cc2)C1(C)C.
What is the InChIKey of 2,2,3,3,5,5,6,6-octamethyl-4-(4-nitrophenyl)morpholine?
The InChIKey is SRXNCHNDXSKTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-15(2)17(5,6)23-18(7,8)16(3,4)19(15)13-9-11-14(12-10-13)20(21)22/h9-12H,1-8H3.
What are the key properties of 2,2,3,3,5,5,6,6-octamethyl-4-(4-nitrophenyl)morpholine?
2,2,3,3,5,5,6,6-octamethyl-4-(4-nitrophenyl)morpholine has a molecular weight of 320.43 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,5,5,6,6-octamethyl-4-(4-nitrophenyl)morpholine is sourced from PubChem (CID 118584178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).