3-acetamido-3-(2,6-difluorophenyl)-N-(3-morpholin-4-ylbutan-2-yl)propanamide

C19H27F2N3O3 — CID 146086643

IUPAC3-acetamido-3-(2,6-difluorophenyl)-N-(3-morpholin-4-ylbutan-2-yl)propanamide
SMILESCC(=O)NC(CC(=O)NC(C)C(C)N1CCOCC1)c1c(F)cccc1F
InChIInChI=1S/C19H27F2N3O3/c1-12(13(2)24-7-9-27-10-8-24)22-18(26)11-17(23-14(3)25)19-15(20)5-4-6-16(19)21/h4-6,12-13,17H,7-11H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyCVZUAMLYYXKDRK-UHFFFAOYSA-N
MW383.44 g/mol
LogP1.76
Rot. Bonds7

About 3-acetamido-3-(2,6-difluorophenyl)-N-(3-morpholin-4-ylbutan-2-yl)propanamide

3-acetamido-3-(2,6-difluorophenyl)-N-(3-morpholin-4-ylbutan-2-yl)propanamide (PubChem CID 146086643) has the molecular formula C19H27F2N3O3 and a molecular weight of 383.44 g/mol. Its IUPAC name is 3-acetamido-3-(2,6-difluorophenyl)-N-(3-morpholin-4-ylbutan-2-yl)propanamide.

Molecular Properties

Compound Name3-acetamido-3-(2,6-difluorophenyl)-N-(3-morpholin-4-ylbutan-2-yl)propanamide
PubChem CID146086643
Molecular FormulaC19H27F2N3O3
Molecular Weight383.44 g/mol
Exact Mass383.20
IUPAC Name3-acetamido-3-(2,6-difluorophenyl)-N-(3-morpholin-4-ylbutan-2-yl)propanamide
SMILESCC(=O)NC(CC(=O)NC(C)C(C)N1CCOCC1)c1c(F)cccc1F
InChIInChI=1S/C19H27F2N3O3/c1-12(13(2)24-7-9-27-10-8-24)22-18(26)11-17(23-14(3)25)19-15(20)5-4-6-16(19)21/h4-6,12-13,17H,7-11H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyCVZUAMLYYXKDRK-UHFFFAOYSA-N
XLogP1.76
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-acetamido-3-(2,6-difluorophenyl)-N-(3-morpholin-4-ylbutan-2-yl)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

(3R)-4-[(3R)-3-acetamido-3-(2,6-difluorophenyl)propanoyl]morpholine-3-carboxylic acid
CID 126454909
N-[(1R)-1-(2,6-difluorophenyl)-3-[(2R)-2-ethylmorpholin-4-yl]-3-oxopropyl]acetamide
CID 95174002
(3R)-3-acetamido-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-thiophen-2-ylpropanamide
CID 94116517
(3S)-3-acetamido-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-thiophen-2-ylpropanamide
CID 94116515
N-[(2R,3S)-3-morpholin-4-ylbutan-2-yl]-3-phenoxypropanamide
CID 95340867
(3R)-1-[(3R)-3-acetamido-3-(2,6-difluorophenyl)propanoyl]pyrrolidine-3-carboxylic acid
CID 124682319
2-[1-(2,6-difluorophenyl)ethylamino]-1-morpholin-4-ylpropan-1-one
CID 115588993
N-[1-(2,6-difluorophenyl)-3-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-oxopropyl]acetamide
CID 146084589
N-[3-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-1-(2,6-difluorophenyl)-3-oxopropyl]acetamide
CID 86883370
(2R)-2-(2,6-difluorophenyl)-2-morpholin-4-ylethanamine
CID 30115194
7-amino-N-(3-morpholin-4-ylbutan-2-yl)heptanamide;dihydrochloride
CID 119878453
N-(3-morpholin-4-yl-3-oxo-1-thiophen-2-ylpropyl)acetamide
CID 47017273

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(2,6-difluorophenyl)-N-(3-morpholin-4-ylbutan-2-yl)propanamide?
The IUPAC name of 3-acetamido-3-(2,6-difluorophenyl)-N-(3-morpholin-4-ylbutan-2-yl)propanamide (CID 146086643) is 3-acetamido-3-(2,6-difluorophenyl)-N-(3-morpholin-4-ylbutan-2-yl)propanamide.
What is the SMILES notation for 3-acetamido-3-(2,6-difluorophenyl)-N-(3-morpholin-4-ylbutan-2-yl)propanamide?
The canonical SMILES for 3-acetamido-3-(2,6-difluorophenyl)-N-(3-morpholin-4-ylbutan-2-yl)propanamide is CC(=O)NC(CC(=O)NC(C)C(C)N1CCOCC1)c1c(F)cccc1F.
What is the InChIKey of 3-acetamido-3-(2,6-difluorophenyl)-N-(3-morpholin-4-ylbutan-2-yl)propanamide?
The InChIKey is CVZUAMLYYXKDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F2N3O3/c1-12(13(2)24-7-9-27-10-8-24)22-18(26)11-17(23-14(3)25)19-15(20)5-4-6-16(19)21/h4-6,12-13,17H,7-11H2,1-3H3,(H,22,26)(H,23,25).
What are the key properties of 3-acetamido-3-(2,6-difluorophenyl)-N-(3-morpholin-4-ylbutan-2-yl)propanamide?
3-acetamido-3-(2,6-difluorophenyl)-N-(3-morpholin-4-ylbutan-2-yl)propanamide has a molecular weight of 383.44 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(2,6-difluorophenyl)-N-(3-morpholin-4-ylbutan-2-yl)propanamide is sourced from PubChem (CID 146086643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).