3-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-phenylpropanamide

C21H27N3O2 — CID 17498635

IUPAC3-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-phenylpropanamide
SMILESCc1cc(C)c(NC(=O)CN(C)CCC(=O)Nc2ccccc2)c(C)c1
InChIInChI=1S/C21H27N3O2/c1-15-12-16(2)21(17(3)13-15)23-20(26)14-24(4)11-10-19(25)22-18-8-6-5-7-9-18/h5-9,12-13H,10-11,14H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyFRAJRTKMOODEAL-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.51
Rot. Bonds7

About 3-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-phenylpropanamide

3-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-phenylpropanamide (PubChem CID 17498635) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 3-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-phenylpropanamide.

Molecular Properties

Compound Name3-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-phenylpropanamide
PubChem CID17498635
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name3-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-phenylpropanamide
SMILESCc1cc(C)c(NC(=O)CN(C)CCC(=O)Nc2ccccc2)c(C)c1
InChIInChI=1S/C21H27N3O2/c1-15-12-16(2)21(17(3)13-15)23-20(26)14-24(4)11-10-19(25)22-18-8-6-5-7-9-18/h5-9,12-13H,10-11,14H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyFRAJRTKMOODEAL-UHFFFAOYSA-N
XLogP3.51
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.51
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-phenylacetamide
CID 9339160
N-(3-ethylphenyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
CID 9339495
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 31380806
3-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide
CID 38300605
3-[(3-anilino-3-oxopropyl)-methylamino]propanoic acid
CID 60987692
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-(4-nitrophenyl)acetamide
CID 9339457
5-[[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 112809384
N-phenyl-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143166
N-(4-bromo-3-methylphenyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
CID 34431719
N-[4-[(2S)-butan-2-yl]phenyl]-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
CID 9339207
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
CID 9338949
2-(dimethylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 138400573

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-phenylpropanamide?
The IUPAC name of 3-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-phenylpropanamide (CID 17498635) is 3-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-phenylpropanamide.
What is the SMILES notation for 3-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-phenylpropanamide?
The canonical SMILES for 3-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-phenylpropanamide is Cc1cc(C)c(NC(=O)CN(C)CCC(=O)Nc2ccccc2)c(C)c1.
What is the InChIKey of 3-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-phenylpropanamide?
The InChIKey is FRAJRTKMOODEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-15-12-16(2)21(17(3)13-15)23-20(26)14-24(4)11-10-19(25)22-18-8-6-5-7-9-18/h5-9,12-13H,10-11,14H2,1-4H3,(H,22,25)(H,23,26).
What are the key properties of 3-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-phenylpropanamide?
3-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-phenylpropanamide has a molecular weight of 353.47 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-phenylpropanamide is sourced from PubChem (CID 17498635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).