N-benzyl-N,2-dimethylpropanamide

C12H17NO — CID 4278282

IUPACN-benzyl-N,2-dimethylpropanamide
SMILESCC(C)C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C12H17NO/c1-10(2)12(14)13(3)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3
InChIKeyJQIZZLMVZXJJJC-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.30
Rot. Bonds3

About N-benzyl-N,2-dimethylpropanamide

N-benzyl-N,2-dimethylpropanamide (PubChem CID 4278282) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-benzyl-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-benzyl-N,2-dimethylpropanamide
PubChem CID4278282
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-benzyl-N,2-dimethylpropanamide
SMILESCC(C)C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C12H17NO/c1-10(2)12(14)13(3)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3
InChIKeyJQIZZLMVZXJJJC-UHFFFAOYSA-N
XLogP2.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.30
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-dimethylpropanamide?
The IUPAC name of N-benzyl-N,2-dimethylpropanamide (CID 4278282) is N-benzyl-N,2-dimethylpropanamide.
What is the SMILES notation for N-benzyl-N,2-dimethylpropanamide?
The canonical SMILES for N-benzyl-N,2-dimethylpropanamide is CC(C)C(=O)N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N,2-dimethylpropanamide?
The InChIKey is JQIZZLMVZXJJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-10(2)12(14)13(3)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3.
What are the key properties of N-benzyl-N,2-dimethylpropanamide?
N-benzyl-N,2-dimethylpropanamide has a molecular weight of 191.27 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,2-dimethylpropanamide is sourced from PubChem (CID 4278282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).