2,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)propanamide;2-methyl-N-(2-morpholin-4-ylethyl)propanamide;2-methyl-N-(2-piperidin-1-ylethyl)propanamide

C32H64N6O4 — CID 157393013

IUPAC2,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)propanamide;2-methyl-N-(2-morpholin-4-ylethyl)propanamide;2-methyl-N-(2-piperidin-1-ylethyl)propanamide
SMILESCC(C)(C)C(=O)NCCN1CCCC1.CC(C)C(=O)NCCN1CCCCC1.CC(C)C(=O)NCCN1CCOCC1
InChIInChI=1S/2C11H22N2O.C10H20N2O2/c1-11(2,3)10(14)12-6-9-13-7-4-5-8-13;1-10(2)11(14)12-6-9-13-7-4-3-5-8-13;1-9(2)10(13)11-3-4-12-5-7-14-8-6-12/h4-9H2,1-3H3,(H,12,14);10H,3-9H2,1-2H3,(H,12,14);9H,3-8H2,1-2H3,(H,11,13)
InChIKeyBMFSLAMEAFHGLN-UHFFFAOYSA-N
MW596.90 g/mol
LogP2.58
Rot. Bonds11

About 2,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)propanamide;2-methyl-N-(2-morpholin-4-ylethyl)propanamide;2-methyl-N-(2-piperidin-1-ylethyl)propanamide

2,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)propanamide;2-methyl-N-(2-morpholin-4-ylethyl)propanamide;2-methyl-N-(2-piperidin-1-ylethyl)propanamide (PubChem CID 157393013) has the molecular formula C32H64N6O4 and a molecular weight of 596.90 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)propanamide;2-methyl-N-(2-morpholin-4-ylethyl)propanamide;2-methyl-N-(2-piperidin-1-ylethyl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)propanamide;2-methyl-N-(2-morpholin-4-ylethyl)propanamide;2-methyl-N-(2-piperidin-1-ylethyl)propanamide
PubChem CID157393013
Molecular FormulaC32H64N6O4
Molecular Weight596.90 g/mol
Exact Mass596.50
IUPAC Name2,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)propanamide;2-methyl-N-(2-morpholin-4-ylethyl)propanamide;2-methyl-N-(2-piperidin-1-ylethyl)propanamide
SMILESCC(C)(C)C(=O)NCCN1CCCC1.CC(C)C(=O)NCCN1CCCCC1.CC(C)C(=O)NCCN1CCOCC1
InChIInChI=1S/2C11H22N2O.C10H20N2O2/c1-11(2,3)10(14)12-6-9-13-7-4-5-8-13;1-10(2)11(14)12-6-9-13-7-4-3-5-8-13;1-9(2)10(13)11-3-4-12-5-7-14-8-6-12/h4-9H2,1-3H3,(H,12,14);10H,3-9H2,1-2H3,(H,12,14);9H,3-8H2,1-2H3,(H,11,13)
InChIKeyBMFSLAMEAFHGLN-UHFFFAOYSA-N
XLogP2.58
TPSA106.25 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500596.90
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)propanamide;2-methyl-N-(2-morpholin-4-ylethyl)propanamide;2-methyl-N-(2-piperidin-1-ylethyl)propanamide with MolForge

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Related Compounds

1-isobutyryl-N-(2-morpholin-4-ylbutyl)piperidin-4-amine
CID 50975339
N-[2-(dimethylamino)ethyl]-N,2-dimethylpropanamide;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperazin-1-ylpropan-1-one
CID 158320092
1-Butan-2-ylpyrrolidin-2-one;1-(3-methylpiperidin-1-yl)ethanone;1-morpholin-4-ylethanone;1-piperazin-1-ylethanone
CID 158569366
1-(Azepan-1-yl)-2-methylpropan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperazin-1-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one
CID 158750317
2-Methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperazin-1-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one
CID 158842354
2-Methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one
CID 159277060
2,2-Dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one
CID 160642530
N-[2-(dimethylamino)ethyl]-N,2-dimethylpropanamide;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one
CID 161226401
1-(Azetidin-1-yl)-2-methylpropan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperazin-1-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one
CID 161850014
2,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)propanamide;bis(2-methyl-N-(2-piperidin-1-ylethyl)propanamide)
CID 161882362
2-Methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one
CID 162226913
N,2-dimethylpropanamide;3-methylbutan-2-one;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-methyl-1-morpholin-4-ylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one;N,N,2-trimethylpropanamide
CID 164164849

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)propanamide;2-methyl-N-(2-morpholin-4-ylethyl)propanamide;2-methyl-N-(2-piperidin-1-ylethyl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)propanamide;2-methyl-N-(2-morpholin-4-ylethyl)propanamide;2-methyl-N-(2-piperidin-1-ylethyl)propanamide (CID 157393013) is 2,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)propanamide;2-methyl-N-(2-morpholin-4-ylethyl)propanamide;2-methyl-N-(2-piperidin-1-ylethyl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)propanamide;2-methyl-N-(2-morpholin-4-ylethyl)propanamide;2-methyl-N-(2-piperidin-1-ylethyl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)propanamide;2-methyl-N-(2-morpholin-4-ylethyl)propanamide;2-methyl-N-(2-piperidin-1-ylethyl)propanamide is CC(C)(C)C(=O)NCCN1CCCC1.CC(C)C(=O)NCCN1CCCCC1.CC(C)C(=O)NCCN1CCOCC1.
What is the InChIKey of 2,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)propanamide;2-methyl-N-(2-morpholin-4-ylethyl)propanamide;2-methyl-N-(2-piperidin-1-ylethyl)propanamide?
The InChIKey is BMFSLAMEAFHGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H22N2O.C10H20N2O2/c1-11(2,3)10(14)12-6-9-13-7-4-5-8-13;1-10(2)11(14)12-6-9-13-7-4-3-5-8-13;1-9(2)10(13)11-3-4-12-5-7-14-8-6-12/h4-9H2,1-3H3,(H,12,14);10H,3-9H2,1-2H3,(H,12,14);9H,3-8H2,1-2H3,(H,11,13).
What are the key properties of 2,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)propanamide;2-methyl-N-(2-morpholin-4-ylethyl)propanamide;2-methyl-N-(2-piperidin-1-ylethyl)propanamide?
2,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)propanamide;2-methyl-N-(2-morpholin-4-ylethyl)propanamide;2-methyl-N-(2-piperidin-1-ylethyl)propanamide has a molecular weight of 596.90 g/mol, XLogP of 2.58, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)propanamide;2-methyl-N-(2-morpholin-4-ylethyl)propanamide;2-methyl-N-(2-piperidin-1-ylethyl)propanamide is sourced from PubChem (CID 157393013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).