N,2,2-trimethyl-N-(pyridin-4-ylmethyl)butanamide

C13H20N2O — CID 121446737

IUPACN,2,2-trimethyl-N-(pyridin-4-ylmethyl)butanamide
SMILESCCC(C)(C)C(=O)N(C)Cc1ccncc1
InChIInChI=1S/C13H20N2O/c1-5-13(2,3)12(16)15(4)10-11-6-8-14-9-7-11/h6-9H,5,10H2,1-4H3
InChIKeyOCNNSIPTESNPIS-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.48
Rot. Bonds4

About N,2,2-trimethyl-N-(pyridin-4-ylmethyl)butanamide

N,2,2-trimethyl-N-(pyridin-4-ylmethyl)butanamide (PubChem CID 121446737) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N,2,2-trimethyl-N-(pyridin-4-ylmethyl)butanamide.

Molecular Properties

Compound NameN,2,2-trimethyl-N-(pyridin-4-ylmethyl)butanamide
PubChem CID121446737
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN,2,2-trimethyl-N-(pyridin-4-ylmethyl)butanamide
SMILESCCC(C)(C)C(=O)N(C)Cc1ccncc1
InChIInChI=1S/C13H20N2O/c1-5-13(2,3)12(16)15(4)10-11-6-8-14-9-7-11/h6-9H,5,10H2,1-4H3
InChIKeyOCNNSIPTESNPIS-UHFFFAOYSA-N
XLogP2.48
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-N-(pyridin-4-ylmethyl)butanamide?
The IUPAC name of N,2,2-trimethyl-N-(pyridin-4-ylmethyl)butanamide (CID 121446737) is N,2,2-trimethyl-N-(pyridin-4-ylmethyl)butanamide.
What is the SMILES notation for N,2,2-trimethyl-N-(pyridin-4-ylmethyl)butanamide?
The canonical SMILES for N,2,2-trimethyl-N-(pyridin-4-ylmethyl)butanamide is CCC(C)(C)C(=O)N(C)Cc1ccncc1.
What is the InChIKey of N,2,2-trimethyl-N-(pyridin-4-ylmethyl)butanamide?
The InChIKey is OCNNSIPTESNPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-5-13(2,3)12(16)15(4)10-11-6-8-14-9-7-11/h6-9H,5,10H2,1-4H3.
What are the key properties of N,2,2-trimethyl-N-(pyridin-4-ylmethyl)butanamide?
N,2,2-trimethyl-N-(pyridin-4-ylmethyl)butanamide has a molecular weight of 220.32 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-N-(pyridin-4-ylmethyl)butanamide is sourced from PubChem (CID 121446737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).