3-(N-acetyl-2,6-diethylanilino)-N-methyl-N-phenylpropanamide

C22H28N2O2 — CID 113126191

IUPAC3-(N-acetyl-2,6-diethylanilino)-N-methyl-N-phenylpropanamide
SMILESCCc1cccc(CC)c1N(CCC(=O)N(C)c1ccccc1)C(C)=O
InChIInChI=1S/C22H28N2O2/c1-5-18-11-10-12-19(6-2)22(18)24(17(3)25)16-15-21(26)23(4)20-13-8-7-9-14-20/h7-14H,5-6,15-16H2,1-4H3
InChIKeyRBNCVIMWDRHEQH-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.22
Rot. Bonds7

About 3-(N-acetyl-2,6-diethylanilino)-N-methyl-N-phenylpropanamide

3-(N-acetyl-2,6-diethylanilino)-N-methyl-N-phenylpropanamide (PubChem CID 113126191) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 3-(N-acetyl-2,6-diethylanilino)-N-methyl-N-phenylpropanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,6-diethylanilino)-N-methyl-N-phenylpropanamide
PubChem CID113126191
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name3-(N-acetyl-2,6-diethylanilino)-N-methyl-N-phenylpropanamide
SMILESCCc1cccc(CC)c1N(CCC(=O)N(C)c1ccccc1)C(C)=O
InChIInChI=1S/C22H28N2O2/c1-5-18-11-10-12-19(6-2)22(18)24(17(3)25)16-15-21(26)23(4)20-13-8-7-9-14-20/h7-14H,5-6,15-16H2,1-4H3
InChIKeyRBNCVIMWDRHEQH-UHFFFAOYSA-N
XLogP4.22
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-2,6-diethylanilino)-N-ethyl-N-phenylpropanamide
CID 113126202
3-(N-acetyl-3-fluoroanilino)-N-methyl-N-phenylpropanamide
CID 113132424
3-(N-acetyl-4-bromoanilino)-N-methyl-N-phenylpropanamide
CID 113128623
3-(3-acetamido-N-acetylanilino)-N-methyl-N-phenylpropanamide
CID 113131003
3-(N-acetyl-3,4-dichloroanilino)-N-methyl-N-phenylpropanamide
CID 113133788
3-(N-acetylanilino)-N-(2,6-diethylphenyl)propanamide
CID 113123442
N-[2-(N-acetyl-2,6-diethylanilino)ethyl]-2-ethylbutanamide
CID 113058866
3-[acetyl(3-phenylpropyl)amino]-N-methyl-N-phenylpropanamide
CID 113122262
2-(N-acetyl-4-ethylanilino)-N-methyl-N-phenylacetamide
CID 113169298
3-(N-acetyl-2,6-diethylanilino)-N-(2-ethoxyphenyl)propanamide
CID 113126212
3-hydroxy-N-methyl-N-phenylpropanamide
CID 82111467
N-methyl-N-phenylnonanamide
CID 54136731

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,6-diethylanilino)-N-methyl-N-phenylpropanamide?
The IUPAC name of 3-(N-acetyl-2,6-diethylanilino)-N-methyl-N-phenylpropanamide (CID 113126191) is 3-(N-acetyl-2,6-diethylanilino)-N-methyl-N-phenylpropanamide.
What is the SMILES notation for 3-(N-acetyl-2,6-diethylanilino)-N-methyl-N-phenylpropanamide?
The canonical SMILES for 3-(N-acetyl-2,6-diethylanilino)-N-methyl-N-phenylpropanamide is CCc1cccc(CC)c1N(CCC(=O)N(C)c1ccccc1)C(C)=O.
What is the InChIKey of 3-(N-acetyl-2,6-diethylanilino)-N-methyl-N-phenylpropanamide?
The InChIKey is RBNCVIMWDRHEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-5-18-11-10-12-19(6-2)22(18)24(17(3)25)16-15-21(26)23(4)20-13-8-7-9-14-20/h7-14H,5-6,15-16H2,1-4H3.
What are the key properties of 3-(N-acetyl-2,6-diethylanilino)-N-methyl-N-phenylpropanamide?
3-(N-acetyl-2,6-diethylanilino)-N-methyl-N-phenylpropanamide has a molecular weight of 352.48 g/mol, XLogP of 4.22, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2,6-diethylanilino)-N-methyl-N-phenylpropanamide is sourced from PubChem (CID 113126191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).