N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[2-(3-methylphenyl)pyrrolidin-1-yl]acetamide

C24H31N3O2 — CID 55917278

IUPACN-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[2-(3-methylphenyl)pyrrolidin-1-yl]acetamide
SMILESCc1cccc(C2CCCN2CC(=O)N(C)CC(=O)Nc2c(C)cccc2C)c1
InChIInChI=1S/C24H31N3O2/c1-17-8-5-11-20(14-17)21-12-7-13-27(21)16-23(29)26(4)15-22(28)25-24-18(2)9-6-10-19(24)3/h5-6,8-11,14,21H,7,12-13,15-16H2,1-4H3,(H,25,28)
InChIKeyLEZIHLFEVKMNMG-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.85
Rot. Bonds6

About N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[2-(3-methylphenyl)pyrrolidin-1-yl]acetamide

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[2-(3-methylphenyl)pyrrolidin-1-yl]acetamide (PubChem CID 55917278) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[2-(3-methylphenyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[2-(3-methylphenyl)pyrrolidin-1-yl]acetamide
PubChem CID55917278
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[2-(3-methylphenyl)pyrrolidin-1-yl]acetamide
SMILESCc1cccc(C2CCCN2CC(=O)N(C)CC(=O)Nc2c(C)cccc2C)c1
InChIInChI=1S/C24H31N3O2/c1-17-8-5-11-20(14-17)21-12-7-13-27(21)16-23(29)26(4)15-22(28)25-24-18(2)9-6-10-19(24)3/h5-6,8-11,14,21H,7,12-13,15-16H2,1-4H3,(H,25,28)
InChIKeyLEZIHLFEVKMNMG-UHFFFAOYSA-N
XLogP3.85
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethylphenyl)-2-[(2S)-2-phenylpyrrolidin-1-yl]acetamide
CID 41448251
N-ethyl-N-methyl-3-[(2R)-2-(3-methylphenyl)pyrrolidin-1-yl]propanamide
CID 97028192
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]acetamide
CID 55601037
methyl 1-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]piperidine-4-carboxylate
CID 8754561
2-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 55840649
3-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylpropanamide
CID 8501081
2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylacetamide
CID 8576314
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 51172206
2-[2-(3-methylphenyl)pyrrolidin-1-yl]-1-(3-methylpiperidin-1-yl)ethanone
CID 47065520
2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 9445163
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 8571576
N-(2,6-dimethylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 9446407

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[2-(3-methylphenyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[2-(3-methylphenyl)pyrrolidin-1-yl]acetamide (CID 55917278) is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[2-(3-methylphenyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[2-(3-methylphenyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[2-(3-methylphenyl)pyrrolidin-1-yl]acetamide is Cc1cccc(C2CCCN2CC(=O)N(C)CC(=O)Nc2c(C)cccc2C)c1.
What is the InChIKey of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[2-(3-methylphenyl)pyrrolidin-1-yl]acetamide?
The InChIKey is LEZIHLFEVKMNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-17-8-5-11-20(14-17)21-12-7-13-27(21)16-23(29)26(4)15-22(28)25-24-18(2)9-6-10-19(24)3/h5-6,8-11,14,21H,7,12-13,15-16H2,1-4H3,(H,25,28).
What are the key properties of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[2-(3-methylphenyl)pyrrolidin-1-yl]acetamide?
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[2-(3-methylphenyl)pyrrolidin-1-yl]acetamide has a molecular weight of 393.53 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-[2-(3-methylphenyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 55917278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).