N-benzyl-2,2-dimethyl-3-morpholin-4-yl-3-oxo-N-phenylpropanamide

C22H26N2O3 — CID 108959951

IUPACN-benzyl-2,2-dimethyl-3-morpholin-4-yl-3-oxo-N-phenylpropanamide
SMILESCC(C)(C(=O)N1CCOCC1)C(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H26N2O3/c1-22(2,20(25)23-13-15-27-16-14-23)21(26)24(19-11-7-4-8-12-19)17-18-9-5-3-6-10-18/h3-12H,13-17H2,1-2H3
InChIKeyFPLXYAQJCAZOFL-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.10
Rot. Bonds5

About N-benzyl-2,2-dimethyl-3-morpholin-4-yl-3-oxo-N-phenylpropanamide

N-benzyl-2,2-dimethyl-3-morpholin-4-yl-3-oxo-N-phenylpropanamide (PubChem CID 108959951) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-benzyl-2,2-dimethyl-3-morpholin-4-yl-3-oxo-N-phenylpropanamide.

Molecular Properties

Compound NameN-benzyl-2,2-dimethyl-3-morpholin-4-yl-3-oxo-N-phenylpropanamide
PubChem CID108959951
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-benzyl-2,2-dimethyl-3-morpholin-4-yl-3-oxo-N-phenylpropanamide
SMILESCC(C)(C(=O)N1CCOCC1)C(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H26N2O3/c1-22(2,20(25)23-13-15-27-16-14-23)21(26)24(19-11-7-4-8-12-19)17-18-9-5-3-6-10-18/h3-12H,13-17H2,1-2H3
InChIKeyFPLXYAQJCAZOFL-UHFFFAOYSA-N
XLogP3.10
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,2-dimethyl-3-morpholin-4-yl-3-oxo-N-phenylpropanamide?
The IUPAC name of N-benzyl-2,2-dimethyl-3-morpholin-4-yl-3-oxo-N-phenylpropanamide (CID 108959951) is N-benzyl-2,2-dimethyl-3-morpholin-4-yl-3-oxo-N-phenylpropanamide.
What is the SMILES notation for N-benzyl-2,2-dimethyl-3-morpholin-4-yl-3-oxo-N-phenylpropanamide?
The canonical SMILES for N-benzyl-2,2-dimethyl-3-morpholin-4-yl-3-oxo-N-phenylpropanamide is CC(C)(C(=O)N1CCOCC1)C(=O)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-2,2-dimethyl-3-morpholin-4-yl-3-oxo-N-phenylpropanamide?
The InChIKey is FPLXYAQJCAZOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-22(2,20(25)23-13-15-27-16-14-23)21(26)24(19-11-7-4-8-12-19)17-18-9-5-3-6-10-18/h3-12H,13-17H2,1-2H3.
What are the key properties of N-benzyl-2,2-dimethyl-3-morpholin-4-yl-3-oxo-N-phenylpropanamide?
N-benzyl-2,2-dimethyl-3-morpholin-4-yl-3-oxo-N-phenylpropanamide has a molecular weight of 366.46 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,2-dimethyl-3-morpholin-4-yl-3-oxo-N-phenylpropanamide is sourced from PubChem (CID 108959951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).