N-benzyl-N,2,2-trimethylbutanamide

C14H21NO — CID 4634732

IUPACN-benzyl-N,2,2-trimethylbutanamide
SMILESCCC(C)(C)C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C14H21NO/c1-5-14(2,3)13(16)15(4)11-12-9-7-6-8-10-12/h6-10H,5,11H2,1-4H3
InChIKeySVPOUEVAPNKQTN-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.08
Rot. Bonds4

About N-benzyl-N,2,2-trimethylbutanamide

N-benzyl-N,2,2-trimethylbutanamide (PubChem CID 4634732) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-benzyl-N,2,2-trimethylbutanamide.

Molecular Properties

Compound NameN-benzyl-N,2,2-trimethylbutanamide
PubChem CID4634732
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-benzyl-N,2,2-trimethylbutanamide
SMILESCCC(C)(C)C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C14H21NO/c1-5-14(2,3)13(16)15(4)11-12-9-7-6-8-10-12/h6-10H,5,11H2,1-4H3
InChIKeySVPOUEVAPNKQTN-UHFFFAOYSA-N
XLogP3.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.08
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-trimethylbutanamide?
The IUPAC name of N-benzyl-N,2,2-trimethylbutanamide (CID 4634732) is N-benzyl-N,2,2-trimethylbutanamide.
What is the SMILES notation for N-benzyl-N,2,2-trimethylbutanamide?
The canonical SMILES for N-benzyl-N,2,2-trimethylbutanamide is CCC(C)(C)C(=O)N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N,2,2-trimethylbutanamide?
The InChIKey is SVPOUEVAPNKQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-5-14(2,3)13(16)15(4)11-12-9-7-6-8-10-12/h6-10H,5,11H2,1-4H3.
What are the key properties of N-benzyl-N,2,2-trimethylbutanamide?
N-benzyl-N,2,2-trimethylbutanamide has a molecular weight of 219.33 g/mol, XLogP of 3.08, 4 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-trimethylbutanamide is sourced from PubChem (CID 4634732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).