N-[2-ethyl-2-(hydroxymethyl)butyl]-2-pyridin-2-ylacetamide

C14H22N2O2 — CID 106252214

IUPACN-[2-ethyl-2-(hydroxymethyl)butyl]-2-pyridin-2-ylacetamide
SMILESCCC(CC)(CO)CNC(=O)Cc1ccccn1
InChIInChI=1S/C14H22N2O2/c1-3-14(4-2,11-17)10-16-13(18)9-12-7-5-6-8-15-12/h5-8,17H,3-4,9-11H2,1-2H3,(H,16,18)
InChIKeyIXURLBAKAIEWIU-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.54
Rot. Bonds7

About N-[2-ethyl-2-(hydroxymethyl)butyl]-2-pyridin-2-ylacetamide

N-[2-ethyl-2-(hydroxymethyl)butyl]-2-pyridin-2-ylacetamide (PubChem CID 106252214) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[2-ethyl-2-(hydroxymethyl)butyl]-2-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-[2-ethyl-2-(hydroxymethyl)butyl]-2-pyridin-2-ylacetamide
PubChem CID106252214
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[2-ethyl-2-(hydroxymethyl)butyl]-2-pyridin-2-ylacetamide
SMILESCCC(CC)(CO)CNC(=O)Cc1ccccn1
InChIInChI=1S/C14H22N2O2/c1-3-14(4-2,11-17)10-16-13(18)9-12-7-5-6-8-15-12/h5-8,17H,3-4,9-11H2,1-2H3,(H,16,18)
InChIKeyIXURLBAKAIEWIU-UHFFFAOYSA-N
XLogP1.54
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-difluoro-3-hydroxypropyl)-2-pyridin-2-ylacetamide
CID 106168483
ethyl 2-[(2-pyridin-2-ylacetyl)amino]acetate
CID 55026375
N-[2,2-dimethyl-3-(methylamino)propyl]-2-pyridin-2-ylacetamide
CID 115271190
3-hydroxy-3-methyl-4-[(2-pyridin-2-ylacetyl)amino]butanoic acid
CID 66001150
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-imidazo[1,2-a]pyridin-2-ylacetamide
CID 103843309
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-pyridin-2-ylacetamide
CID 107845294
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(2-nitrophenyl)acetamide
CID 103843631
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-pyridin-2-ylacetamide
CID 104931826
N-[2-(ethylamino)ethyl]-2-pyridin-2-ylacetamide
CID 62659164
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-pyridin-2-ylethanesulfonamide
CID 103844738
N-(3-hydroxy-2-methylpropyl)-2-pyridin-2-ylacetamide
CID 65037494
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-thiophen-2-ylacetamide
CID 113331524

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]-2-pyridin-2-ylacetamide?
The IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]-2-pyridin-2-ylacetamide (CID 106252214) is N-[2-ethyl-2-(hydroxymethyl)butyl]-2-pyridin-2-ylacetamide.
What is the SMILES notation for N-[2-ethyl-2-(hydroxymethyl)butyl]-2-pyridin-2-ylacetamide?
The canonical SMILES for N-[2-ethyl-2-(hydroxymethyl)butyl]-2-pyridin-2-ylacetamide is CCC(CC)(CO)CNC(=O)Cc1ccccn1.
What is the InChIKey of N-[2-ethyl-2-(hydroxymethyl)butyl]-2-pyridin-2-ylacetamide?
The InChIKey is IXURLBAKAIEWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-14(4-2,11-17)10-16-13(18)9-12-7-5-6-8-15-12/h5-8,17H,3-4,9-11H2,1-2H3,(H,16,18).
What are the key properties of N-[2-ethyl-2-(hydroxymethyl)butyl]-2-pyridin-2-ylacetamide?
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-pyridin-2-ylacetamide has a molecular weight of 250.34 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-2-(hydroxymethyl)butyl]-2-pyridin-2-ylacetamide is sourced from PubChem (CID 106252214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).