2-[ethyl(methyl)amino]-N-(2-methyl-2-pyrrolidin-1-ylpropyl)butanamide

C15H31N3O — CID 131914175

IUPAC2-[ethyl(methyl)amino]-N-(2-methyl-2-pyrrolidin-1-ylpropyl)butanamide
SMILESCCC(C(=O)NCC(C)(C)N1CCCC1)N(C)CC
InChIInChI=1S/C15H31N3O/c1-6-13(17(5)7-2)14(19)16-12-15(3,4)18-10-8-9-11-18/h13H,6-12H2,1-5H3,(H,16,19)
InChIKeyOGBLGSWAWYYMTC-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.71
Rot. Bonds7

About 2-[ethyl(methyl)amino]-N-(2-methyl-2-pyrrolidin-1-ylpropyl)butanamide

2-[ethyl(methyl)amino]-N-(2-methyl-2-pyrrolidin-1-ylpropyl)butanamide (PubChem CID 131914175) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-[ethyl(methyl)amino]-N-(2-methyl-2-pyrrolidin-1-ylpropyl)butanamide.

Molecular Properties

Compound Name2-[ethyl(methyl)amino]-N-(2-methyl-2-pyrrolidin-1-ylpropyl)butanamide
PubChem CID131914175
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-[ethyl(methyl)amino]-N-(2-methyl-2-pyrrolidin-1-ylpropyl)butanamide
SMILESCCC(C(=O)NCC(C)(C)N1CCCC1)N(C)CC
InChIInChI=1S/C15H31N3O/c1-6-13(17(5)7-2)14(19)16-12-15(3,4)18-10-8-9-11-18/h13H,6-12H2,1-5H3,(H,16,19)
InChIKeyOGBLGSWAWYYMTC-UHFFFAOYSA-N
XLogP1.71
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-3-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)butanamide
CID 110312935
1-[(1S)-1-cyclopropylethyl]-1-methyl-3-(2-methyl-2-piperidin-1-ylpropyl)urea
CID 52505296
2-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-3-phenylpropanamide
CID 110353481
N-(2-methyl-2-piperidin-1-ylpropyl)-2-methylsulfanylacetamide
CID 78785728
(2S)-2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)butanamide;dihydrochloride
CID 119830220
1-(2-hydroxy-2,3-dimethylbutyl)-3-(2-methyl-2-piperidin-1-ylpropyl)urea
CID 111120835
(2R)-N-[2-[4-(dimethylamino)piperidin-1-yl]-2-methylpropyl]-2-methoxypropanamide
CID 95238788
(2S)-2-(dimethylamino)-3-methyl-N-[2-methyl-2-[(3R)-3-methylpiperidin-1-yl]propyl]butanamide
CID 96539152
1-(4-hydroxy-3-methylbutan-2-yl)-3-(2-methyl-2-piperidin-1-ylpropyl)urea
CID 111453991
2-(3,4-dichlorophenyl)-3-methyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)butanamide
CID 110303185
(2R)-2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide
CID 78973489
1-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-methyl-2-piperidin-1-ylpropyl)urea
CID 110911642

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(methyl)amino]-N-(2-methyl-2-pyrrolidin-1-ylpropyl)butanamide?
The IUPAC name of 2-[ethyl(methyl)amino]-N-(2-methyl-2-pyrrolidin-1-ylpropyl)butanamide (CID 131914175) is 2-[ethyl(methyl)amino]-N-(2-methyl-2-pyrrolidin-1-ylpropyl)butanamide.
What is the SMILES notation for 2-[ethyl(methyl)amino]-N-(2-methyl-2-pyrrolidin-1-ylpropyl)butanamide?
The canonical SMILES for 2-[ethyl(methyl)amino]-N-(2-methyl-2-pyrrolidin-1-ylpropyl)butanamide is CCC(C(=O)NCC(C)(C)N1CCCC1)N(C)CC.
What is the InChIKey of 2-[ethyl(methyl)amino]-N-(2-methyl-2-pyrrolidin-1-ylpropyl)butanamide?
The InChIKey is OGBLGSWAWYYMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-6-13(17(5)7-2)14(19)16-12-15(3,4)18-10-8-9-11-18/h13H,6-12H2,1-5H3,(H,16,19).
What are the key properties of 2-[ethyl(methyl)amino]-N-(2-methyl-2-pyrrolidin-1-ylpropyl)butanamide?
2-[ethyl(methyl)amino]-N-(2-methyl-2-pyrrolidin-1-ylpropyl)butanamide has a molecular weight of 269.43 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(methyl)amino]-N-(2-methyl-2-pyrrolidin-1-ylpropyl)butanamide is sourced from PubChem (CID 131914175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).