N-(2,3-dimethylphenyl)-2-[methyl-[(1,2,2-trimethylpyrrolidin-3-yl)methyl]amino]acetamide

C19H31N3O — CID 91832359

IUPACN-(2,3-dimethylphenyl)-2-[methyl-[(1,2,2-trimethylpyrrolidin-3-yl)methyl]amino]acetamide
SMILESCc1cccc(NC(=O)CN(C)CC2CCN(C)C2(C)C)c1C
InChIInChI=1S/C19H31N3O/c1-14-8-7-9-17(15(14)2)20-18(23)13-21(5)12-16-10-11-22(6)19(16,3)4/h7-9,16H,10-13H2,1-6H3,(H,20,23)
InChIKeyZQJUELVCQRLGOF-UHFFFAOYSA-N
MW317.48 g/mol
LogP2.90
Rot. Bonds5

About N-(2,3-dimethylphenyl)-2-[methyl-[(1,2,2-trimethylpyrrolidin-3-yl)methyl]amino]acetamide

N-(2,3-dimethylphenyl)-2-[methyl-[(1,2,2-trimethylpyrrolidin-3-yl)methyl]amino]acetamide (PubChem CID 91832359) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[methyl-[(1,2,2-trimethylpyrrolidin-3-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[methyl-[(1,2,2-trimethylpyrrolidin-3-yl)methyl]amino]acetamide
PubChem CID91832359
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC NameN-(2,3-dimethylphenyl)-2-[methyl-[(1,2,2-trimethylpyrrolidin-3-yl)methyl]amino]acetamide
SMILESCc1cccc(NC(=O)CN(C)CC2CCN(C)C2(C)C)c1C
InChIInChI=1S/C19H31N3O/c1-14-8-7-9-17(15(14)2)20-18(23)13-21(5)12-16-10-11-22(6)19(16,3)4/h7-9,16H,10-13H2,1-6H3,(H,20,23)
InChIKeyZQJUELVCQRLGOF-UHFFFAOYSA-N
XLogP2.90
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 38510500
N-(2,3-dimethylphenyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide
CID 110883640
2-[[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 11929445
N-(2,3-dimethylphenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 22196125
N-(2,3-dimethylphenyl)-2-[methyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetamide
CID 9287446
3-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 55490203
2-[(2,6-dichlorophenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 9287814
(1S,6S)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbicyclo[4.1.0]heptane-7-carboxamide
CID 98205725
ethyl (2R)-1-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]piperidine-2-carboxylate
CID 8553056
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 79651972
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 9287854
2-[(4-bromophenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 2657308

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[methyl-[(1,2,2-trimethylpyrrolidin-3-yl)methyl]amino]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[methyl-[(1,2,2-trimethylpyrrolidin-3-yl)methyl]amino]acetamide (CID 91832359) is N-(2,3-dimethylphenyl)-2-[methyl-[(1,2,2-trimethylpyrrolidin-3-yl)methyl]amino]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[methyl-[(1,2,2-trimethylpyrrolidin-3-yl)methyl]amino]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[methyl-[(1,2,2-trimethylpyrrolidin-3-yl)methyl]amino]acetamide is Cc1cccc(NC(=O)CN(C)CC2CCN(C)C2(C)C)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[methyl-[(1,2,2-trimethylpyrrolidin-3-yl)methyl]amino]acetamide?
The InChIKey is ZQJUELVCQRLGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-14-8-7-9-17(15(14)2)20-18(23)13-21(5)12-16-10-11-22(6)19(16,3)4/h7-9,16H,10-13H2,1-6H3,(H,20,23).
What are the key properties of N-(2,3-dimethylphenyl)-2-[methyl-[(1,2,2-trimethylpyrrolidin-3-yl)methyl]amino]acetamide?
N-(2,3-dimethylphenyl)-2-[methyl-[(1,2,2-trimethylpyrrolidin-3-yl)methyl]amino]acetamide has a molecular weight of 317.48 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[methyl-[(1,2,2-trimethylpyrrolidin-3-yl)methyl]amino]acetamide is sourced from PubChem (CID 91832359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).