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

C25H35NO4 — CID 68703797

IUPACN-(2,2-diethoxyethyl)-3-(2-phenylethoxy)-N-(2-phenylethyl)propanamide
SMILESCCOC(CN(CCc1ccccc1)C(=O)CCOCCc1ccccc1)OCC
InChIInChI=1S/C25H35NO4/c1-3-29-25(30-4-2)21-26(18-15-22-11-7-5-8-12-22)24(27)17-20-28-19-16-23-13-9-6-10-14-23/h5-14,25H,3-4,15-21H2,1-2H3
InChIKeyMCTBUPFRLUBZES-UHFFFAOYSA-N
MW413.56 g/mol
LogP4.11
Rot. Bonds15

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

N-(2,2-diethoxyethyl)-3-(2-phenylethoxy)-N-(2-phenylethyl)propanamide (PubChem CID 68703797) has the molecular formula C25H35NO4 and a molecular weight of 413.56 g/mol. Its IUPAC name is N-(2,2-diethoxyethyl)-3-(2-phenylethoxy)-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound NameN-(2,2-diethoxyethyl)-3-(2-phenylethoxy)-N-(2-phenylethyl)propanamide
PubChem CID68703797
Molecular FormulaC25H35NO4
Molecular Weight413.56 g/mol
Exact Mass413.26
IUPAC NameN-(2,2-diethoxyethyl)-3-(2-phenylethoxy)-N-(2-phenylethyl)propanamide
SMILESCCOC(CN(CCc1ccccc1)C(=O)CCOCCc1ccccc1)OCC
InChIInChI=1S/C25H35NO4/c1-3-29-25(30-4-2)21-26(18-15-22-11-7-5-8-12-22)24(27)17-20-28-19-16-23-13-9-6-10-14-23/h5-14,25H,3-4,15-21H2,1-2H3
InChIKeyMCTBUPFRLUBZES-UHFFFAOYSA-N
XLogP4.11
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.56
LogP ≤ 54.11
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'}

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Related Compounds

N-cyclohexyl-3-[2-(3,5-difluorophenyl)ethoxy]-N-(2,2-dimethoxyethyl)propanamide
CID 59224548
N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-(4-fluorophenyl)ethoxy]propanamide
CID 59224551
N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-(3-fluorophenyl)ethoxy]propanamide
CID 59224613
N-cyclohexyl-3-[2-(4-fluorophenyl)ethoxy]-N-(2-hydroxy-2-methoxyethyl)propanamide
CID 143698429
N-cyclohexyl-3-[2-(3-fluorophenyl)ethoxy]-N-(2-hydroxy-2-methoxyethyl)propanamide
CID 143698431
(4S)-4-benzyl-3-[(2S)-3,3-dimethoxy-2-methylpropanoyl]-1,3-oxazolidin-2-one
CID 14783203
(2S)-2-[(2S)-hexan-2-yl]oxy-1-[4-(methoxymethoxy)piperidin-1-yl]-3-phenylpropan-1-one
CID 57017376
3-(3-Cyanophenethoxy)-N-cyclohexyl-N-(2,2-dimethoxyethyl)propanamide
CID 58168555
N-Cyclohexyl-N-(2,2-dimethoxyethyl)-3-phenethoxypropanamide
CID 59224562
(R)-N-sec-Butyl-N-(2,2-dimethoxyethyl)-3-phenethoxypropanamide
CID 59224571
N-Cyclohexyl-N-(2,2-dimethoxyethyl)-3-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenethoxy)propanamide
CID 59290414
3-(3-Bromophenethoxy)-N-cyclohexyl-N-(2,2-dimethoxyethyl)propanamide
CID 59290480

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethoxyethyl)-3-(2-phenylethoxy)-N-(2-phenylethyl)propanamide?
The IUPAC name of N-(2,2-diethoxyethyl)-3-(2-phenylethoxy)-N-(2-phenylethyl)propanamide (CID 68703797) is N-(2,2-diethoxyethyl)-3-(2-phenylethoxy)-N-(2-phenylethyl)propanamide.
What is the SMILES notation for N-(2,2-diethoxyethyl)-3-(2-phenylethoxy)-N-(2-phenylethyl)propanamide?
The canonical SMILES for N-(2,2-diethoxyethyl)-3-(2-phenylethoxy)-N-(2-phenylethyl)propanamide is CCOC(CN(CCc1ccccc1)C(=O)CCOCCc1ccccc1)OCC.
What is the InChIKey of N-(2,2-diethoxyethyl)-3-(2-phenylethoxy)-N-(2-phenylethyl)propanamide?
The InChIKey is MCTBUPFRLUBZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NO4/c1-3-29-25(30-4-2)21-26(18-15-22-11-7-5-8-12-22)24(27)17-20-28-19-16-23-13-9-6-10-14-23/h5-14,25H,3-4,15-21H2,1-2H3.
What are the key properties of N-(2,2-diethoxyethyl)-3-(2-phenylethoxy)-N-(2-phenylethyl)propanamide?
N-(2,2-diethoxyethyl)-3-(2-phenylethoxy)-N-(2-phenylethyl)propanamide has a molecular weight of 413.56 g/mol, XLogP of 4.11, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethoxyethyl)-3-(2-phenylethoxy)-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 68703797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).