4,4-dimethyl-3-phenylpentanamide

C13H19NO — CID 82077159

IUPAC4,4-dimethyl-3-phenylpentanamide
SMILESCC(C)(C)C(CC(N)=O)c1ccccc1
InChIInChI=1S/C13H19NO/c1-13(2,3)11(9-12(14)15)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H2,14,15)
InChIKeyFXEQCGFYJDWRHZ-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.69
Rot. Bonds3

About 4,4-dimethyl-3-phenylpentanamide

4,4-dimethyl-3-phenylpentanamide (PubChem CID 82077159) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 4,4-dimethyl-3-phenylpentanamide.

Molecular Properties

Compound Name4,4-dimethyl-3-phenylpentanamide
PubChem CID82077159
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name4,4-dimethyl-3-phenylpentanamide
SMILESCC(C)(C)C(CC(N)=O)c1ccccc1
InChIInChI=1S/C13H19NO/c1-13(2,3)11(9-12(14)15)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H2,14,15)
InChIKeyFXEQCGFYJDWRHZ-UHFFFAOYSA-N
XLogP2.69
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-fluorophenyl)-4,4-dimethylpentanamide
CID 82080473
4-methyl-3-phenylpentanamide
CID 66616845
N-(2,2-dimethylpropanoyl)-4,4-dimethyl-3-phenylpentanamide
CID 102034056
3-(3,4-difluorophenyl)-4,4-dimethylpentanamide
CID 82084654
(Z)-6,6-dimethyl-1,5-diphenylhept-1-en-3-one
CID 54602474
2,2,5,5-tetramethylhexan-3-ylbenzene
CID 546256
3,4-dihydroxy-4-phenylbutanamide
CID 171898569
3-[(3-amino-3-phenylpropanoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66175762
2,2,5-trimethylhexan-3-ylbenzene
CID 18669937
5-amino-3,3-dimethyl-5-phenylpentanamide
CID 62933322
(3S)-3-[(4S,5S)-4-benzyl-5-methyl-4,5-dihydro-1,3-oxazol-2-yl]-4,4-dimethylpentanamide
CID 162488102
4-[[(1S)-3-amino-3-oxo-1-phenylpropyl]carbamoylamino]-2,2-dimethylbutanoic acid
CID 122126630

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-phenylpentanamide?
The IUPAC name of 4,4-dimethyl-3-phenylpentanamide (CID 82077159) is 4,4-dimethyl-3-phenylpentanamide.
What is the SMILES notation for 4,4-dimethyl-3-phenylpentanamide?
The canonical SMILES for 4,4-dimethyl-3-phenylpentanamide is CC(C)(C)C(CC(N)=O)c1ccccc1.
What is the InChIKey of 4,4-dimethyl-3-phenylpentanamide?
The InChIKey is FXEQCGFYJDWRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-13(2,3)11(9-12(14)15)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H2,14,15).
What are the key properties of 4,4-dimethyl-3-phenylpentanamide?
4,4-dimethyl-3-phenylpentanamide has a molecular weight of 205.30 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-phenylpentanamide is sourced from PubChem (CID 82077159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).