(2S)-N-[2-(4-fluorophenyl)ethyl]-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]propanamide

C21H26FN3O3 — CID 8555354

IUPAC(2S)-N-[2-(4-fluorophenyl)ethyl]-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
SMILESCOc1cccc(NC(=O)CN(C)[C@@H](C)C(=O)NCCc2ccc(F)cc2)c1
InChIInChI=1S/C21H26FN3O3/c1-15(21(27)23-12-11-16-7-9-17(22)10-8-16)25(2)14-20(26)24-18-5-4-6-19(13-18)28-3/h4-10,13,15H,11-12,14H2,1-3H3,(H,23,27)(H,24,26)/t15-/m0/s1
InChIKeyVDFLLJOAZVBSAO-HNNXBMFYSA-N
MW387.46 g/mol
LogP2.45
Rot. Bonds9

About (2S)-N-[2-(4-fluorophenyl)ethyl]-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]propanamide

(2S)-N-[2-(4-fluorophenyl)ethyl]-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]propanamide (PubChem CID 8555354) has the molecular formula C21H26FN3O3 and a molecular weight of 387.46 g/mol. Its IUPAC name is (2S)-N-[2-(4-fluorophenyl)ethyl]-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-[2-(4-fluorophenyl)ethyl]-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
PubChem CID8555354
Molecular FormulaC21H26FN3O3
Molecular Weight387.46 g/mol
Exact Mass387.20
IUPAC Name(2S)-N-[2-(4-fluorophenyl)ethyl]-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
SMILESCOc1cccc(NC(=O)CN(C)[C@@H](C)C(=O)NCCc2ccc(F)cc2)c1
InChIInChI=1S/C21H26FN3O3/c1-15(21(27)23-12-11-16-7-9-17(22)10-8-16)25(2)14-20(26)24-18-5-4-6-19(13-18)28-3/h4-10,13,15H,11-12,14H2,1-3H3,(H,23,27)(H,24,26)/t15-/m0/s1
InChIKeyVDFLLJOAZVBSAO-HNNXBMFYSA-N
XLogP2.45
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[2-(4-fluorophenyl)ethyl]-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]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

2-[(2-anilino-2-oxoethyl)-methylamino]-N-[(3-methoxyphenyl)methyl]propanamide
CID 55639256
(2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N,N-dimethylpropanamide
CID 8555923
(2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)propanamide
CID 9198346
2-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 46561916
(2S)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(2R)-2-phenylbutyl]propanamide
CID 8556267
N-[(3-fluorophenyl)methyl]-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide
CID 46561832
(2S)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(2S)-2-phenylbutyl]propanamide
CID 8556272
2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 55370235
N-[2-(4-methoxyphenyl)ethyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
CID 24507139
N-[2-(4-fluorophenyl)ethyl]-3-(3-methoxyanilino)propanamide
CID 109025014
N-benzyl-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide
CID 17430525
N-(2,4-dichlorophenyl)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 46601499

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(4-fluorophenyl)ethyl]-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]propanamide?
The IUPAC name of (2S)-N-[2-(4-fluorophenyl)ethyl]-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]propanamide (CID 8555354) is (2S)-N-[2-(4-fluorophenyl)ethyl]-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]propanamide.
What is the SMILES notation for (2S)-N-[2-(4-fluorophenyl)ethyl]-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]propanamide?
The canonical SMILES for (2S)-N-[2-(4-fluorophenyl)ethyl]-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]propanamide is COc1cccc(NC(=O)CN(C)[C@@H](C)C(=O)NCCc2ccc(F)cc2)c1.
What is the InChIKey of (2S)-N-[2-(4-fluorophenyl)ethyl]-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]propanamide?
The InChIKey is VDFLLJOAZVBSAO-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H26FN3O3/c1-15(21(27)23-12-11-16-7-9-17(22)10-8-16)25(2)14-20(26)24-18-5-4-6-19(13-18)28-3/h4-10,13,15H,11-12,14H2,1-3H3,(H,23,27)(H,24,26)/t15-/m0/s1.
What are the key properties of (2S)-N-[2-(4-fluorophenyl)ethyl]-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]propanamide?
(2S)-N-[2-(4-fluorophenyl)ethyl]-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]propanamide has a molecular weight of 387.46 g/mol, XLogP of 2.45, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(4-fluorophenyl)ethyl]-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]propanamide is sourced from PubChem (CID 8555354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).