N-benzyl-N,2,2-trimethylpropanamide

C13H19NO — CID 12606821

IUPACN-benzyl-N,2,2-trimethylpropanamide
SMILESCN(Cc1ccccc1)C(=O)C(C)(C)C
InChIInChI=1S/C13H19NO/c1-13(2,3)12(15)14(4)10-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3
InChIKeyDAAJIFSPEAZXKE-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.69
Rot. Bonds2

About N-benzyl-N,2,2-trimethylpropanamide

N-benzyl-N,2,2-trimethylpropanamide (PubChem CID 12606821) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-benzyl-N,2,2-trimethylpropanamide.

Molecular Properties

Compound NameN-benzyl-N,2,2-trimethylpropanamide
PubChem CID12606821
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-benzyl-N,2,2-trimethylpropanamide
SMILESCN(Cc1ccccc1)C(=O)C(C)(C)C
InChIInChI=1S/C13H19NO/c1-13(2,3)12(15)14(4)10-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3
InChIKeyDAAJIFSPEAZXKE-UHFFFAOYSA-N
XLogP2.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,2,2-trimethylpropanamide?
The IUPAC name of N-benzyl-N,2,2-trimethylpropanamide (CID 12606821) is N-benzyl-N,2,2-trimethylpropanamide.
What is the SMILES notation for N-benzyl-N,2,2-trimethylpropanamide?
The canonical SMILES for N-benzyl-N,2,2-trimethylpropanamide is CN(Cc1ccccc1)C(=O)C(C)(C)C.
What is the InChIKey of N-benzyl-N,2,2-trimethylpropanamide?
The InChIKey is DAAJIFSPEAZXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-13(2,3)12(15)14(4)10-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3.
What are the key properties of N-benzyl-N,2,2-trimethylpropanamide?
N-benzyl-N,2,2-trimethylpropanamide has a molecular weight of 205.30 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,2,2-trimethylpropanamide is sourced from PubChem (CID 12606821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).