N-benzyl-N,3-dimethylbutanamide

C13H19NO — CID 4635592

IUPACN-benzyl-N,3-dimethylbutanamide
SMILESCC(C)CC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C13H19NO/c1-11(2)9-13(15)14(3)10-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3
InChIKeyKSBUVPSHIODYKG-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.69
Rot. Bonds4

About N-benzyl-N,3-dimethylbutanamide

N-benzyl-N,3-dimethylbutanamide (PubChem CID 4635592) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-benzyl-N,3-dimethylbutanamide.

Molecular Properties

Compound NameN-benzyl-N,3-dimethylbutanamide
PubChem CID4635592
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-benzyl-N,3-dimethylbutanamide
SMILESCC(C)CC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C13H19NO/c1-11(2)9-13(15)14(3)10-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3
InChIKeyKSBUVPSHIODYKG-UHFFFAOYSA-N
XLogP2.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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,3-dimethylbutanamide?
The IUPAC name of N-benzyl-N,3-dimethylbutanamide (CID 4635592) is N-benzyl-N,3-dimethylbutanamide.
What is the SMILES notation for N-benzyl-N,3-dimethylbutanamide?
The canonical SMILES for N-benzyl-N,3-dimethylbutanamide is CC(C)CC(=O)N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N,3-dimethylbutanamide?
The InChIKey is KSBUVPSHIODYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-11(2)9-13(15)14(3)10-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3.
What are the key properties of N-benzyl-N,3-dimethylbutanamide?
N-benzyl-N,3-dimethylbutanamide has a molecular weight of 205.30 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,3-dimethylbutanamide is sourced from PubChem (CID 4635592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).