N-(2,6-diethylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetamide

C19H31N3O — CID 75392697

IUPACN-(2,6-diethylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetamide
SMILESCCc1cccc(CC)c1NC(=O)CN(C)CCN1CCCC1
InChIInChI=1S/C19H31N3O/c1-4-16-9-8-10-17(5-2)19(16)20-18(23)15-21(3)13-14-22-11-6-7-12-22/h8-10H,4-7,11-15H2,1-3H3,(H,20,23)
InChIKeyAPSNNMLIRRWFKN-UHFFFAOYSA-N
MW317.48 g/mol
LogP2.78
Rot. Bonds8

About N-(2,6-diethylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetamide

N-(2,6-diethylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetamide (PubChem CID 75392697) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetamide
PubChem CID75392697
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC NameN-(2,6-diethylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetamide
SMILESCCc1cccc(CC)c1NC(=O)CN(C)CCN1CCCC1
InChIInChI=1S/C19H31N3O/c1-4-16-9-8-10-17(5-2)19(16)20-18(23)15-21(3)13-14-22-11-6-7-12-22/h8-10H,4-7,11-15H2,1-3H3,(H,20,23)
InChIKeyAPSNNMLIRRWFKN-UHFFFAOYSA-N
XLogP2.78
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-diethylphenyl)-2-[ethyl(methyl)amino]acetamide
CID 60516664
3-[[2-(2,6-diethylanilino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119911645
N-(2-chlorophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetamide
CID 11971646
N-(3-chloro-2-methylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetamide
CID 24832612
N-(2-ethyl-6-methylphenyl)-3-pyrrolidin-1-ylpropanamide
CID 110688197
N-(2-cyanophenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetamide
CID 63207235
2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetohydrazide
CID 63573409
N-(2,6-diethylphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 8964124
2-[(4-chlorophenyl)methyl-(2-pyrrolidin-1-ylethyl)amino]-N-(2,6-dimethylphenyl)acetamide;dihydrochloride
CID 24832638
2-[benzyl(2-pyrrolidin-1-ylethyl)amino]-N-(2-chloro-6-methylphenyl)acetamide
CID 24832590
2-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]benzoic acid
CID 104548782
3-methyl-1-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-2-one
CID 79395842

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetamide?
The IUPAC name of N-(2,6-diethylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetamide (CID 75392697) is N-(2,6-diethylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetamide?
The canonical SMILES for N-(2,6-diethylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetamide is CCc1cccc(CC)c1NC(=O)CN(C)CCN1CCCC1.
What is the InChIKey of N-(2,6-diethylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetamide?
The InChIKey is APSNNMLIRRWFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-4-16-9-8-10-17(5-2)19(16)20-18(23)15-21(3)13-14-22-11-6-7-12-22/h8-10H,4-7,11-15H2,1-3H3,(H,20,23).
What are the key properties of N-(2,6-diethylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetamide?
N-(2,6-diethylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetamide has a molecular weight of 317.48 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetamide is sourced from PubChem (CID 75392697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).