2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-naphthalen-2-ylpropanamide

C25H29N3O2 — CID 46801974

IUPAC2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-naphthalen-2-ylpropanamide
SMILESCc1cc(C)c(NC(=O)CN(C)C(C)C(=O)Nc2ccc3ccccc3c2)c(C)c1
InChIInChI=1S/C25H29N3O2/c1-16-12-17(2)24(18(3)13-16)27-23(29)15-28(5)19(4)25(30)26-22-11-10-20-8-6-7-9-21(20)14-22/h6-14,19H,15H2,1-5H3,(H,26,30)(H,27,29)
InChIKeyROOZUFXYVJKPGK-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.66
Rot. Bonds6

About 2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-naphthalen-2-ylpropanamide

2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-naphthalen-2-ylpropanamide (PubChem CID 46801974) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-naphthalen-2-ylpropanamide.

Molecular Properties

Compound Name2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-naphthalen-2-ylpropanamide
PubChem CID46801974
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-naphthalen-2-ylpropanamide
SMILESCc1cc(C)c(NC(=O)CN(C)C(C)C(=O)Nc2ccc3ccccc3c2)c(C)c1
InChIInChI=1S/C25H29N3O2/c1-16-12-17(2)24(18(3)13-16)27-23(29)15-28(5)19(4)25(30)26-22-11-10-20-8-6-7-9-21(20)14-22/h6-14,19H,15H2,1-5H3,(H,26,30)(H,27,29)
InChIKeyROOZUFXYVJKPGK-UHFFFAOYSA-N
XLogP4.66
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(2,4,6-trimethylphenyl)propanamide
CID 42911688
(2R)-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-naphthalen-2-ylpropanamide
CID 2572986
2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-(2,4,6-trimethylphenyl)propanamide
CID 42912128
(2R)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-naphthalen-2-ylpropanamide
CID 8767426
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 46801955
2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-N-(2,4,6-trimethylphenyl)propanamide
CID 78676271
(2R)-N-ethyl-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]propanamide
CID 8622377
2-[3-hydroxybutyl(methyl)amino]-N-naphthalen-2-ylpropanamide
CID 111496932
N-naphthalen-2-yl-2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanylacetamide
CID 1322911
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 55430703
(2S)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-[(1R)-1-phenylbutyl]propanamide
CID 9348881
2-[methyl(naphthalen-2-ylmethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 9261630

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-naphthalen-2-ylpropanamide?
The IUPAC name of 2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-naphthalen-2-ylpropanamide (CID 46801974) is 2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-naphthalen-2-ylpropanamide.
What is the SMILES notation for 2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-naphthalen-2-ylpropanamide?
The canonical SMILES for 2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-naphthalen-2-ylpropanamide is Cc1cc(C)c(NC(=O)CN(C)C(C)C(=O)Nc2ccc3ccccc3c2)c(C)c1.
What is the InChIKey of 2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-naphthalen-2-ylpropanamide?
The InChIKey is ROOZUFXYVJKPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-16-12-17(2)24(18(3)13-16)27-23(29)15-28(5)19(4)25(30)26-22-11-10-20-8-6-7-9-21(20)14-22/h6-14,19H,15H2,1-5H3,(H,26,30)(H,27,29).
What are the key properties of 2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-naphthalen-2-ylpropanamide?
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-naphthalen-2-ylpropanamide has a molecular weight of 403.53 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-naphthalen-2-ylpropanamide is sourced from PubChem (CID 46801974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).