N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,2-dimethylpropanamide

C19H30N2O4 — CID 1241231

IUPACN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,2-dimethylpropanamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C(C)(C)C
InChIInChI=1S/C19H30N2O4/c1-6-24-16-13-15(21-8-10-23-11-9-21)17(25-7-2)12-14(16)20-18(22)19(3,4)5/h12-13H,6-11H2,1-5H3,(H,20,22)
InChIKeyIKTPMURSIAXWEO-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.31
Rot. Bonds6

About N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,2-dimethylpropanamide

N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,2-dimethylpropanamide (PubChem CID 1241231) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,2-dimethylpropanamide
PubChem CID1241231
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,2-dimethylpropanamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C(C)(C)C
InChIInChI=1S/C19H30N2O4/c1-6-24-16-13-15(21-8-10-23-11-9-21)17(25-7-2)12-14(16)20-18(22)19(3,4)5/h12-13H,6-11H2,1-5H3,(H,20,22)
InChIKeyIKTPMURSIAXWEO-UHFFFAOYSA-N
XLogP3.31
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,2-dimethylpropanamide 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 N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,2-dimethylpropanamide (CID 1241231) is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,2-dimethylpropanamide is CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C(C)(C)C.
What is the InChIKey of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,2-dimethylpropanamide?
The InChIKey is IKTPMURSIAXWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4/c1-6-24-16-13-15(21-8-10-23-11-9-21)17(25-7-2)12-14(16)20-18(22)19(3,4)5/h12-13H,6-11H2,1-5H3,(H,20,22).
What are the key properties of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,2-dimethylpropanamide?
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,2-dimethylpropanamide has a molecular weight of 350.46 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 1241231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).