(2S)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-[(2R)-2-phenylbutyl]propanamide

C24H33N3O2 — CID 8557644

IUPAC(2S)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-[(2R)-2-phenylbutyl]propanamide
SMILESCC[C@@H](CNC(=O)[C@H](C)N(C)CC(=O)Nc1c(C)cccc1C)c1ccccc1
InChIInChI=1S/C24H33N3O2/c1-6-20(21-13-8-7-9-14-21)15-25-24(29)19(4)27(5)16-22(28)26-23-17(2)11-10-12-18(23)3/h7-14,19-20H,6,15-16H2,1-5H3,(H,25,29)(H,26,28)/t19-,20-/m0/s1
InChIKeyQOWBWKLJGSVKKT-PMACEKPBSA-N
MW395.55 g/mol
LogP3.87
Rot. Bonds9

About (2S)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-[(2R)-2-phenylbutyl]propanamide

(2S)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-[(2R)-2-phenylbutyl]propanamide (PubChem CID 8557644) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is (2S)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-[(2R)-2-phenylbutyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-[(2R)-2-phenylbutyl]propanamide
PubChem CID8557644
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Name(2S)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-[(2R)-2-phenylbutyl]propanamide
SMILESCC[C@@H](CNC(=O)[C@H](C)N(C)CC(=O)Nc1c(C)cccc1C)c1ccccc1
InChIInChI=1S/C24H33N3O2/c1-6-20(21-13-8-7-9-14-21)15-25-24(29)19(4)27(5)16-22(28)26-23-17(2)11-10-12-18(23)3/h7-14,19-20H,6,15-16H2,1-5H3,(H,25,29)(H,26,28)/t19-,20-/m0/s1
InChIKeyQOWBWKLJGSVKKT-PMACEKPBSA-N
XLogP3.87
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-[(2S)-2-phenylbutyl]propanamide
CID 8676463
(2S)-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-N-[(2R)-2-phenylbutyl]propanamide
CID 8594421
(2S)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(2R)-2-phenylbutyl]propanamide
CID 8556267
(2S)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(2S)-2-phenylbutyl]propanamide
CID 8556272
(2R)-2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]-N-[(2S)-2-phenylbutyl]propanamide
CID 8709944
(2S)-N-cyclopropyl-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]propanamide
CID 8557442
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2,5-dimethylphenyl)propanamide
CID 46561822
(2S)-N-benzyl-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-ethylpropanamide
CID 9221814
2-[(2-anilino-2-oxoethyl)-methylamino]-N-[(2-methylphenyl)methyl]propanamide
CID 86979728
(2R)-N-ethyl-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]propanamide
CID 8622377
(2S)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-[(1R)-1-phenylbutyl]propanamide
CID 9348881
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 55430703

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-[(2R)-2-phenylbutyl]propanamide?
The IUPAC name of (2S)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-[(2R)-2-phenylbutyl]propanamide (CID 8557644) is (2S)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-[(2R)-2-phenylbutyl]propanamide.
What is the SMILES notation for (2S)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-[(2R)-2-phenylbutyl]propanamide?
The canonical SMILES for (2S)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-[(2R)-2-phenylbutyl]propanamide is CC[C@@H](CNC(=O)[C@H](C)N(C)CC(=O)Nc1c(C)cccc1C)c1ccccc1.
What is the InChIKey of (2S)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-[(2R)-2-phenylbutyl]propanamide?
The InChIKey is QOWBWKLJGSVKKT-PMACEKPBSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-6-20(21-13-8-7-9-14-21)15-25-24(29)19(4)27(5)16-22(28)26-23-17(2)11-10-12-18(23)3/h7-14,19-20H,6,15-16H2,1-5H3,(H,25,29)(H,26,28)/t19-,20-/m0/s1.
What are the key properties of (2S)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-[(2R)-2-phenylbutyl]propanamide?
(2S)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-[(2R)-2-phenylbutyl]propanamide has a molecular weight of 395.55 g/mol, XLogP of 3.87, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-[(2R)-2-phenylbutyl]propanamide is sourced from PubChem (CID 8557644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).