N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-(2-phenylethoxy)propanamide

C21H33NO4 — CID 59224562

IUPACN-cyclohexyl-N-(2,2-dimethoxyethyl)-3-(2-phenylethoxy)propanamide
SMILESCOC(CN(C(=O)CCOCCc1ccccc1)C1CCCCC1)OC
InChIInChI=1S/C21H33NO4/c1-24-21(25-2)17-22(19-11-7-4-8-12-19)20(23)14-16-26-15-13-18-9-5-3-6-10-18/h3,5-6,9-10,19,21H,4,7-8,11-17H2,1-2H3
InChIKeyTZNGLXNKUHFSPJ-UHFFFAOYSA-N
MW363.50 g/mol
LogP3.42
Rot. Bonds11

About N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-(2-phenylethoxy)propanamide

N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-(2-phenylethoxy)propanamide (PubChem CID 59224562) has the molecular formula C21H33NO4 and a molecular weight of 363.50 g/mol. Its IUPAC name is N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-(2-phenylethoxy)propanamide.

Molecular Properties

Compound NameN-cyclohexyl-N-(2,2-dimethoxyethyl)-3-(2-phenylethoxy)propanamide
PubChem CID59224562
Molecular FormulaC21H33NO4
Molecular Weight363.50 g/mol
Exact Mass363.24
IUPAC NameN-cyclohexyl-N-(2,2-dimethoxyethyl)-3-(2-phenylethoxy)propanamide
SMILESCOC(CN(C(=O)CCOCCc1ccccc1)C1CCCCC1)OC
InChIInChI=1S/C21H33NO4/c1-24-21(25-2)17-22(19-11-7-4-8-12-19)20(23)14-16-26-15-13-18-9-5-3-6-10-18/h3,5-6,9-10,19,21H,4,7-8,11-17H2,1-2H3
InChIKeyTZNGLXNKUHFSPJ-UHFFFAOYSA-N
XLogP3.42
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 53.42
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-cyclohexyl-N-(2,2-dimethoxyethyl)-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

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
3-(3-Cyanophenethoxy)-N-cyclohexyl-N-(2,2-dimethoxyethyl)propanamide
CID 58168555
(R)-N-sec-Butyl-N-(2,2-dimethoxyethyl)-3-phenethoxypropanamide
CID 59224571
N-Butyl-N-(2-hydroxyethyl)-3-phenethoxypropanamide
CID 59224592
N-Cyclohexyl-N-(2,2-dimethoxyethyl)-3-(3-formylphenethoxy)propanamide
CID 59290390
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-cyclohexyl-N-(2,2-dimethoxyethyl)-3-(2-phenylethoxy)propanamide?
The IUPAC name of N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-(2-phenylethoxy)propanamide (CID 59224562) is N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-(2-phenylethoxy)propanamide.
What is the SMILES notation for N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-(2-phenylethoxy)propanamide?
The canonical SMILES for N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-(2-phenylethoxy)propanamide is COC(CN(C(=O)CCOCCc1ccccc1)C1CCCCC1)OC.
What is the InChIKey of N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-(2-phenylethoxy)propanamide?
The InChIKey is TZNGLXNKUHFSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO4/c1-24-21(25-2)17-22(19-11-7-4-8-12-19)20(23)14-16-26-15-13-18-9-5-3-6-10-18/h3,5-6,9-10,19,21H,4,7-8,11-17H2,1-2H3.
What are the key properties of N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-(2-phenylethoxy)propanamide?
N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-(2-phenylethoxy)propanamide has a molecular weight of 363.50 g/mol, XLogP of 3.42, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-(2-phenylethoxy)propanamide is sourced from PubChem (CID 59224562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).