N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-(4-fluorophenyl)ethoxy]propanamide

C21H32FNO4 — CID 59224551

IUPACN-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-(4-fluorophenyl)ethoxy]propanamide
SMILESCOC(CN(C(=O)CCOCCc1ccc(F)cc1)C1CCCCC1)OC
InChIInChI=1S/C21H32FNO4/c1-25-21(26-2)16-23(19-6-4-3-5-7-19)20(24)13-15-27-14-12-17-8-10-18(22)11-9-17/h8-11,19,21H,3-7,12-16H2,1-2H3
InChIKeyMJIADGIDZSRZSA-UHFFFAOYSA-N
MW381.49 g/mol
LogP3.56
Rot. Bonds11

About N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-(4-fluorophenyl)ethoxy]propanamide

N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-(4-fluorophenyl)ethoxy]propanamide (PubChem CID 59224551) has the molecular formula C21H32FNO4 and a molecular weight of 381.49 g/mol. Its IUPAC name is N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-(4-fluorophenyl)ethoxy]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-(4-fluorophenyl)ethoxy]propanamide
PubChem CID59224551
Molecular FormulaC21H32FNO4
Molecular Weight381.49 g/mol
Exact Mass381.23
IUPAC NameN-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-(4-fluorophenyl)ethoxy]propanamide
SMILESCOC(CN(C(=O)CCOCCc1ccc(F)cc1)C1CCCCC1)OC
InChIInChI=1S/C21H32FNO4/c1-25-21(26-2)16-23(19-6-4-3-5-7-19)20(24)13-15-27-14-12-17-8-10-18(22)11-9-17/h8-11,19,21H,3-7,12-16H2,1-2H3
InChIKeyMJIADGIDZSRZSA-UHFFFAOYSA-N
XLogP3.56
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.49
LogP ≤ 53.56
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-(4-fluorophenyl)ethoxy]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-(3-fluorophenyl)ethoxy]propanamide
CID 59224613
[3-[Cyclohexyl(2,2-dimethoxyethyl)amino]-3-oxopropyl]-[2-(3-fluorophenyl)ethyl]carbamic acid
CID 67545880
[3-[cyclohexyl(2,2-dimethoxyethyl)amino]-3-oxopropyl] N-benzyl-N-[2-(3-fluorophenyl)ethyl]carbamate
CID 91296389
(2S)-2-[(2-aminoacetyl)amino]-N-[(2S)-1,1-dimethoxypropan-2-yl]-N-[2-(3-fluorophenyl)ethyl]-3-phenylmethoxypropanamide
CID 142711320
(2S)-2-amino-N-[(2S)-1,1-dimethoxypropan-2-yl]-N-[2-(3-fluorophenyl)ethyl]-3-phenylmethoxypropanamide
CID 142711325
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
N-Cyclohexyl-N-(2,2-dimethoxyethyl)-3-phenethoxypropanamide
CID 59224562
(R)-N-sec-Butyl-N-(2,2-dimethoxyethyl)-3-phenethoxypropanamide
CID 59224571

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-(4-fluorophenyl)ethoxy]propanamide?
The IUPAC name of N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-(4-fluorophenyl)ethoxy]propanamide (CID 59224551) is N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-(4-fluorophenyl)ethoxy]propanamide.
What is the SMILES notation for N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-(4-fluorophenyl)ethoxy]propanamide?
The canonical SMILES for N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-(4-fluorophenyl)ethoxy]propanamide is COC(CN(C(=O)CCOCCc1ccc(F)cc1)C1CCCCC1)OC.
What is the InChIKey of N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-(4-fluorophenyl)ethoxy]propanamide?
The InChIKey is MJIADGIDZSRZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32FNO4/c1-25-21(26-2)16-23(19-6-4-3-5-7-19)20(24)13-15-27-14-12-17-8-10-18(22)11-9-17/h8-11,19,21H,3-7,12-16H2,1-2H3.
What are the key properties of N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-(4-fluorophenyl)ethoxy]propanamide?
N-cyclohexyl-N-(2,2-dimethoxyethyl)-3-[2-(4-fluorophenyl)ethoxy]propanamide has a molecular weight of 381.49 g/mol, XLogP of 3.56, 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-(4-fluorophenyl)ethoxy]propanamide is sourced from PubChem (CID 59224551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).