2,2-dimethyl-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]propanamide

C15H23N3O2 — CID 112993675

IUPAC2,2-dimethyl-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]propanamide
SMILESCN(CCc1ccncc1)C(=O)CNC(=O)C(C)(C)C
InChIInChI=1S/C15H23N3O2/c1-15(2,3)14(20)17-11-13(19)18(4)10-7-12-5-8-16-9-6-12/h5-6,8-9H,7,10-11H2,1-4H3,(H,17,20)
InChIKeyGJTGSGCGHSMNFQ-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.24
Rot. Bonds5

About 2,2-dimethyl-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]propanamide

2,2-dimethyl-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]propanamide (PubChem CID 112993675) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]propanamide
PubChem CID112993675
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2,2-dimethyl-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]propanamide
SMILESCN(CCc1ccncc1)C(=O)CNC(=O)C(C)(C)C
InChIInChI=1S/C15H23N3O2/c1-15(2,3)14(20)17-11-13(19)18(4)10-7-12-5-8-16-9-6-12/h5-6,8-9H,7,10-11H2,1-4H3,(H,17,20)
InChIKeyGJTGSGCGHSMNFQ-UHFFFAOYSA-N
XLogP1.24
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-[2-[methyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]propanamide
CID 47028268
N-methyl-2-(methylamino)-N-(2-pyridin-4-ylethyl)acetamide
CID 60913880
2-amino-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]acetamide
CID 54944012
2-(4-tert-butylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 109001538
N-methyl-N-(2-pyridin-4-ylethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78942343
4-fluoro-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide
CID 112993682
N-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)acetamide
CID 108993197
3-(tert-butylamino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 54943632
2-chloro-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 60913202
2-(benzylamino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 108996378
N-methyl-N-(2-pyridin-4-ylethyl)-2-(2,3,4-trifluoroanilino)acetamide
CID 109001618
N,2-dimethyl-2-(methylamino)-N-(2-pyridin-4-ylethyl)propanamide
CID 62847427

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]propanamide (CID 112993675) is 2,2-dimethyl-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]propanamide is CN(CCc1ccncc1)C(=O)CNC(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]propanamide?
The InChIKey is GJTGSGCGHSMNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-15(2,3)14(20)17-11-13(19)18(4)10-7-12-5-8-16-9-6-12/h5-6,8-9H,7,10-11H2,1-4H3,(H,17,20).
What are the key properties of 2,2-dimethyl-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]propanamide?
2,2-dimethyl-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]propanamide has a molecular weight of 277.37 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]propanamide is sourced from PubChem (CID 112993675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).