(2S)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-[(1R)-1-phenylbutyl]propanamide

C25H35N3O2 — CID 9348881

IUPAC(2S)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-[(1R)-1-phenylbutyl]propanamide
SMILESCCC[C@@H](NC(=O)[C@H](C)N(C)CC(=O)Nc1c(C)cc(C)cc1C)c1ccccc1
InChIInChI=1S/C25H35N3O2/c1-7-11-22(21-12-9-8-10-13-21)26-25(30)20(5)28(6)16-23(29)27-24-18(3)14-17(2)15-19(24)4/h8-10,12-15,20,22H,7,11,16H2,1-6H3,(H,26,30)(H,27,29)/t20-,22+/m0/s1
InChIKeyBYYZOUXDQRKLMV-RBBKRZOGSA-N
MW409.57 g/mol
LogP4.53
Rot. Bonds9

About (2S)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-[(1R)-1-phenylbutyl]propanamide

(2S)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-[(1R)-1-phenylbutyl]propanamide (PubChem CID 9348881) has the molecular formula C25H35N3O2 and a molecular weight of 409.57 g/mol. Its IUPAC name is (2S)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-[(1R)-1-phenylbutyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-[(1R)-1-phenylbutyl]propanamide
PubChem CID9348881
Molecular FormulaC25H35N3O2
Molecular Weight409.57 g/mol
Exact Mass409.27
IUPAC Name(2S)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-[(1R)-1-phenylbutyl]propanamide
SMILESCCC[C@@H](NC(=O)[C@H](C)N(C)CC(=O)Nc1c(C)cc(C)cc1C)c1ccccc1
InChIInChI=1S/C25H35N3O2/c1-7-11-22(21-12-9-8-10-13-21)26-25(30)20(5)28(6)16-23(29)27-24-18(3)14-17(2)15-19(24)4/h8-10,12-15,20,22H,7,11,16H2,1-6H3,(H,26,30)(H,27,29)/t20-,22+/m0/s1
InChIKeyBYYZOUXDQRKLMV-RBBKRZOGSA-N
XLogP4.53
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.57
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-[(1S)-1-phenylbutyl]propanamide
CID 8914313
(2S)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-N-[(1R)-1-phenylbutyl]propanamide
CID 9348098
2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-N-(1-phenylbutyl)propanamide
CID 60516440
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(1-phenylbutyl)propanamide
CID 84832187
2-[ethyl(methyl)amino]-N-(1-phenylbutyl)propanamide
CID 60516767
(2S)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(1S)-1-phenylbutyl]propanamide
CID 8556646
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(2,4,6-trimethylphenyl)propanamide
CID 42911688
(2R)-N-ethyl-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]propanamide
CID 8622377
2-[acetyl(1-phenylethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 113162045
2-[methyl-[2-[[(1S)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 8710584
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-naphthalen-2-ylpropanamide
CID 46801974
N-(ethylcarbamoyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]propanamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-[(1R)-1-phenylbutyl]propanamide?
The IUPAC name of (2S)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-[(1R)-1-phenylbutyl]propanamide (CID 9348881) is (2S)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-[(1R)-1-phenylbutyl]propanamide.
What is the SMILES notation for (2S)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-[(1R)-1-phenylbutyl]propanamide?
The canonical SMILES for (2S)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-[(1R)-1-phenylbutyl]propanamide is CCC[C@@H](NC(=O)[C@H](C)N(C)CC(=O)Nc1c(C)cc(C)cc1C)c1ccccc1.
What is the InChIKey of (2S)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-[(1R)-1-phenylbutyl]propanamide?
The InChIKey is BYYZOUXDQRKLMV-RBBKRZOGSA-N. The full InChI is InChI=1S/C25H35N3O2/c1-7-11-22(21-12-9-8-10-13-21)26-25(30)20(5)28(6)16-23(29)27-24-18(3)14-17(2)15-19(24)4/h8-10,12-15,20,22H,7,11,16H2,1-6H3,(H,26,30)(H,27,29)/t20-,22+/m0/s1.
What are the key properties of (2S)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-[(1R)-1-phenylbutyl]propanamide?
(2S)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-[(1R)-1-phenylbutyl]propanamide has a molecular weight of 409.57 g/mol, XLogP of 4.53, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-[(1R)-1-phenylbutyl]propanamide is sourced from PubChem (CID 9348881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).