N-benzyl-N-(2,2-diethoxyethyl)-3-(2-phenylethoxy)propanamide

C24H33NO4 — CID 68703095

IUPACN-benzyl-N-(2,2-diethoxyethyl)-3-(2-phenylethoxy)propanamide
SMILESCCOC(CN(Cc1ccccc1)C(=O)CCOCCc1ccccc1)OCC
InChIInChI=1S/C24H33NO4/c1-3-28-24(29-4-2)20-25(19-22-13-9-6-10-14-22)23(26)16-18-27-17-15-21-11-7-5-8-12-21/h5-14,24H,3-4,15-20H2,1-2H3
InChIKeyPWOFNRKBHHOXNQ-UHFFFAOYSA-N
MW399.53 g/mol
LogP4.06
Rot. Bonds14

About N-benzyl-N-(2,2-diethoxyethyl)-3-(2-phenylethoxy)propanamide

N-benzyl-N-(2,2-diethoxyethyl)-3-(2-phenylethoxy)propanamide (PubChem CID 68703095) has the molecular formula C24H33NO4 and a molecular weight of 399.53 g/mol. Its IUPAC name is N-benzyl-N-(2,2-diethoxyethyl)-3-(2-phenylethoxy)propanamide.

Molecular Properties

Compound NameN-benzyl-N-(2,2-diethoxyethyl)-3-(2-phenylethoxy)propanamide
PubChem CID68703095
Molecular FormulaC24H33NO4
Molecular Weight399.53 g/mol
Exact Mass399.24
IUPAC NameN-benzyl-N-(2,2-diethoxyethyl)-3-(2-phenylethoxy)propanamide
SMILESCCOC(CN(Cc1ccccc1)C(=O)CCOCCc1ccccc1)OCC
InChIInChI=1S/C24H33NO4/c1-3-28-24(29-4-2)20-25(19-22-13-9-6-10-14-22)23(26)16-18-27-17-15-21-11-7-5-8-12-21/h5-14,24H,3-4,15-20H2,1-2H3
InChIKeyPWOFNRKBHHOXNQ-UHFFFAOYSA-N
XLogP4.06
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.53
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-benzyl-N-(2,2-diethoxyethyl)-3-(2-phenylethoxy)propanamide 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-benzyl-N-(2,2-diethoxyethyl)-3-(2-phenylethoxy)propanamide?
The IUPAC name of N-benzyl-N-(2,2-diethoxyethyl)-3-(2-phenylethoxy)propanamide (CID 68703095) is N-benzyl-N-(2,2-diethoxyethyl)-3-(2-phenylethoxy)propanamide.
What is the SMILES notation for N-benzyl-N-(2,2-diethoxyethyl)-3-(2-phenylethoxy)propanamide?
The canonical SMILES for N-benzyl-N-(2,2-diethoxyethyl)-3-(2-phenylethoxy)propanamide is CCOC(CN(Cc1ccccc1)C(=O)CCOCCc1ccccc1)OCC.
What is the InChIKey of N-benzyl-N-(2,2-diethoxyethyl)-3-(2-phenylethoxy)propanamide?
The InChIKey is PWOFNRKBHHOXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO4/c1-3-28-24(29-4-2)20-25(19-22-13-9-6-10-14-22)23(26)16-18-27-17-15-21-11-7-5-8-12-21/h5-14,24H,3-4,15-20H2,1-2H3.
What are the key properties of N-benzyl-N-(2,2-diethoxyethyl)-3-(2-phenylethoxy)propanamide?
N-benzyl-N-(2,2-diethoxyethyl)-3-(2-phenylethoxy)propanamide has a molecular weight of 399.53 g/mol, XLogP of 4.06, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2,2-diethoxyethyl)-3-(2-phenylethoxy)propanamide is sourced from PubChem (CID 68703095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).