(3R)-3-(cyclohexylmethyl)-N-[2-(4-fluoroanilino)ethyl]-4-morpholin-4-yl-4-oxobutanamide

C23H34FN3O3 — CID 11327594

IUPAC(3R)-3-(cyclohexylmethyl)-N-[2-(4-fluoroanilino)ethyl]-4-morpholin-4-yl-4-oxobutanamide
SMILESO=C(C[C@@H](CC1CCCCC1)C(=O)N1CCOCC1)NCCNc1ccc(F)cc1
InChIInChI=1S/C23H34FN3O3/c24-20-6-8-21(9-7-20)25-10-11-26-22(28)17-19(16-18-4-2-1-3-5-18)23(29)27-12-14-30-15-13-27/h6-9,18-19,25H,1-5,10-17H2,(H,26,28)/t19-/m1/s1
InChIKeyGBWWFYPYZLWCDD-LJQANCHMSA-N
MW419.54 g/mol
LogP3.19
Rot. Bonds9

About (3R)-3-(cyclohexylmethyl)-N-[2-(4-fluoroanilino)ethyl]-4-morpholin-4-yl-4-oxobutanamide

(3R)-3-(cyclohexylmethyl)-N-[2-(4-fluoroanilino)ethyl]-4-morpholin-4-yl-4-oxobutanamide (PubChem CID 11327594) has the molecular formula C23H34FN3O3 and a molecular weight of 419.54 g/mol. Its IUPAC name is (3R)-3-(cyclohexylmethyl)-N-[2-(4-fluoroanilino)ethyl]-4-morpholin-4-yl-4-oxobutanamide.

Molecular Properties

Compound Name(3R)-3-(cyclohexylmethyl)-N-[2-(4-fluoroanilino)ethyl]-4-morpholin-4-yl-4-oxobutanamide
PubChem CID11327594
Molecular FormulaC23H34FN3O3
Molecular Weight419.54 g/mol
Exact Mass419.26
IUPAC Name(3R)-3-(cyclohexylmethyl)-N-[2-(4-fluoroanilino)ethyl]-4-morpholin-4-yl-4-oxobutanamide
SMILESO=C(C[C@@H](CC1CCCCC1)C(=O)N1CCOCC1)NCCNc1ccc(F)cc1
InChIInChI=1S/C23H34FN3O3/c24-20-6-8-21(9-7-20)25-10-11-26-22(28)17-19(16-18-4-2-1-3-5-18)23(29)27-12-14-30-15-13-27/h6-9,18-19,25H,1-5,10-17H2,(H,26,28)/t19-/m1/s1
InChIKeyGBWWFYPYZLWCDD-LJQANCHMSA-N
XLogP3.19
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.54
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3R)-3-(cyclohexylmethyl)-N-[2-(4-fluoroanilino)ethyl]-4-morpholin-4-yl-4-oxobutanamide 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-(cyanomethyl)-4-methyl-2-{3-[4-(morpholin-4-yl)phenyl]phenyl}pentanamide
CID 11014664
2-[(2-fluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 24824960
(1r,2r)-N-(1-Cyanocyclopropyl)-2-{[4-(4-Fluorophenyl)piperazin-1-Yl]carbonyl}cyclohexanecarboxamide
CID 70278898
(2R)-2-(cyclohexylmethyl)-N-{2-[(4-fluorophenyl)amino]ethyl}-4-(morpholin-4-yl)-4-oxobutanamide
CID 11396020
N-(cyanomethyl)-4-methyl-2-{3-[3-(morpholin-4-yl)phenyl]phenyl}pentanamide
CID 10992823
N-(cyanomethyl)-4-methyl-2-{3-[2-(morpholin-4-yl)phenyl]phenyl}pentanamide
CID 11132938
Cyclohexanecarboxylic acid {4-[2-(4-phenyl-piperazin-1-yl)-ethyl]-cyclohexyl}-amide
CID 9865584
N-(4-fluorophenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)cyclopentyl]acetamide
CID 9391204
N-(4-fluorophenyl)-1-(3-phenylpropanoyl)-3-piperidinamine
CID 24791061
N-(4-morpholin-4-ylphenyl)-3-phenylpropanamide
CID 730073
(2R)-2-(cyclohexylmethyl)-N-[(2S)-1-(5-fluoro-2,3-dihydroindol-1-yl)propan-2-yl]-4-morpholin-4-yl-4-oxobutanamide
CID 11259697
N-[(2S)-3-cyclohexyl-1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethylamino]-1-oxopropan-2-yl]morpholine-4-carboxamide
CID 11270795

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(cyclohexylmethyl)-N-[2-(4-fluoroanilino)ethyl]-4-morpholin-4-yl-4-oxobutanamide?
The IUPAC name of (3R)-3-(cyclohexylmethyl)-N-[2-(4-fluoroanilino)ethyl]-4-morpholin-4-yl-4-oxobutanamide (CID 11327594) is (3R)-3-(cyclohexylmethyl)-N-[2-(4-fluoroanilino)ethyl]-4-morpholin-4-yl-4-oxobutanamide.
What is the SMILES notation for (3R)-3-(cyclohexylmethyl)-N-[2-(4-fluoroanilino)ethyl]-4-morpholin-4-yl-4-oxobutanamide?
The canonical SMILES for (3R)-3-(cyclohexylmethyl)-N-[2-(4-fluoroanilino)ethyl]-4-morpholin-4-yl-4-oxobutanamide is O=C(C[C@@H](CC1CCCCC1)C(=O)N1CCOCC1)NCCNc1ccc(F)cc1.
What is the InChIKey of (3R)-3-(cyclohexylmethyl)-N-[2-(4-fluoroanilino)ethyl]-4-morpholin-4-yl-4-oxobutanamide?
The InChIKey is GBWWFYPYZLWCDD-LJQANCHMSA-N. The full InChI is InChI=1S/C23H34FN3O3/c24-20-6-8-21(9-7-20)25-10-11-26-22(28)17-19(16-18-4-2-1-3-5-18)23(29)27-12-14-30-15-13-27/h6-9,18-19,25H,1-5,10-17H2,(H,26,28)/t19-/m1/s1.
What are the key properties of (3R)-3-(cyclohexylmethyl)-N-[2-(4-fluoroanilino)ethyl]-4-morpholin-4-yl-4-oxobutanamide?
(3R)-3-(cyclohexylmethyl)-N-[2-(4-fluoroanilino)ethyl]-4-morpholin-4-yl-4-oxobutanamide has a molecular weight of 419.54 g/mol, XLogP of 3.19, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(cyclohexylmethyl)-N-[2-(4-fluoroanilino)ethyl]-4-morpholin-4-yl-4-oxobutanamide is sourced from PubChem (CID 11327594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).