N-benzyl-4,4-dimethylpentanamide

C14H21NO — CID 59836653

IUPACN-benzyl-4,4-dimethylpentanamide
SMILESCC(C)(C)CCC(=O)NCc1ccccc1
InChIInChI=1S/C14H21NO/c1-14(2,3)10-9-13(16)15-11-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3,(H,15,16)
InChIKeyWEEFQJPGXUJYOT-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.13
Rot. Bonds4

About N-benzyl-4,4-dimethylpentanamide

N-benzyl-4,4-dimethylpentanamide (PubChem CID 59836653) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-benzyl-4,4-dimethylpentanamide.

Molecular Properties

Compound NameN-benzyl-4,4-dimethylpentanamide
PubChem CID59836653
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-benzyl-4,4-dimethylpentanamide
SMILESCC(C)(C)CCC(=O)NCc1ccccc1
InChIInChI=1S/C14H21NO/c1-14(2,3)10-9-13(16)15-11-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3,(H,15,16)
InChIKeyWEEFQJPGXUJYOT-UHFFFAOYSA-N
XLogP3.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-benzyl-4,4-dimethylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-benzyl-4,4-dimethylpentanehydrazide
CID 22069131
N-benzyl-3-[ditert-butyl(fluoro)silyl]propanamide
CID 72704095
N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide
CID 91939014
N-benzyl-3-chloropropanamide
CID 10391
N-benzyl-3-(4-methylanilino)propanamide
CID 109018805
N-benzyl-4,4-difluorobutanamide
CID 132965820
N'-benzylbutanediamide
CID 4682951
6-(benzylamino)-6-oxohexanoic acid
CID 43529432
N-[2-(benzylamino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 36895898
N-benzylundecanamide
CID 5078198
5-(benzylamino)-2-methyl-5-oxopentanoic acid
CID 112515547
N-benzyl-4-fluoro-7-oxooctanamide
CID 154713599

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4,4-dimethylpentanamide?
The IUPAC name of N-benzyl-4,4-dimethylpentanamide (CID 59836653) is N-benzyl-4,4-dimethylpentanamide.
What is the SMILES notation for N-benzyl-4,4-dimethylpentanamide?
The canonical SMILES for N-benzyl-4,4-dimethylpentanamide is CC(C)(C)CCC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-4,4-dimethylpentanamide?
The InChIKey is WEEFQJPGXUJYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-14(2,3)10-9-13(16)15-11-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3,(H,15,16).
What are the key properties of N-benzyl-4,4-dimethylpentanamide?
N-benzyl-4,4-dimethylpentanamide has a molecular weight of 219.33 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4,4-dimethylpentanamide is sourced from PubChem (CID 59836653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).