N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-pyridin-3-ylpropanamide

C15H23N3O2 — CID 86912821

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-pyridin-3-ylpropanamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)CCc1cccnc1
InChIInChI=1S/C15H23N3O2/c1-15(2,3)17-13(19)11-18(4)14(20)8-7-12-6-5-9-16-10-12/h5-6,9-10H,7-8,11H2,1-4H3,(H,17,19)
InChIKeyRSKHRMWNVMYXSE-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.39
Rot. Bonds5

About N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-pyridin-3-ylpropanamide

N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-pyridin-3-ylpropanamide (PubChem CID 86912821) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-pyridin-3-ylpropanamide
PubChem CID86912821
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-pyridin-3-ylpropanamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)CCc1cccnc1
InChIInChI=1S/C15H23N3O2/c1-15(2,3)17-13(19)11-18(4)14(20)8-7-12-6-5-9-16-10-12/h5-6,9-10H,7-8,11H2,1-4H3,(H,17,19)
InChIKeyRSKHRMWNVMYXSE-UHFFFAOYSA-N
XLogP1.39
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 ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-3-pyridin-3-ylpropanamide
CID 95903055
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-3-pyridin-3-ylpropanamide
CID 40718725
N-tert-butyl-2-(2-pyridin-3-ylethylamino)acetamide
CID 60912742
N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 18137364
N-ethoxy-3-pyridin-3-ylpropanamide
CID 60717875
2,2-dimethyl-4-[methyl(2-pyridin-3-ylethyl)amino]-4-oxobutanoic acid
CID 115165292
N-methyl-3-pyridin-3-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
CID 134003798
2-(tert-butylamino)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 78986887
4-hydroxy-N-methyl-N-(2-pyridin-3-ylethyl)butanamide
CID 115163161
2-[2-(dimethylamino)ethyl-(3-pyridin-3-ylpropanoyl)amino]acetic acid
CID 103802557
5,5-dimethyl-1-pyridin-3-ylhexan-3-one
CID 58286829
N-[2-(tert-butylamino)-2-oxoethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 18137368

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-pyridin-3-ylpropanamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-pyridin-3-ylpropanamide (CID 86912821) is N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-pyridin-3-ylpropanamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-pyridin-3-ylpropanamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-pyridin-3-ylpropanamide is CN(CC(=O)NC(C)(C)C)C(=O)CCc1cccnc1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-pyridin-3-ylpropanamide?
The InChIKey is RSKHRMWNVMYXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-15(2,3)17-13(19)11-18(4)14(20)8-7-12-6-5-9-16-10-12/h5-6,9-10H,7-8,11H2,1-4H3,(H,17,19).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-pyridin-3-ylpropanamide?
N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-pyridin-3-ylpropanamide has a molecular weight of 277.37 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 86912821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).