3,3-dimethyl-N-(1-phenylethyl)butanamide

C14H21NO — CID 5156149

IUPAC3,3-dimethyl-N-(1-phenylethyl)butanamide
SMILESCC(NC(=O)CC(C)(C)C)c1ccccc1
InChIInChI=1S/C14H21NO/c1-11(12-8-6-5-7-9-12)15-13(16)10-14(2,3)4/h5-9,11H,10H2,1-4H3,(H,15,16)
InChIKeyMESAZVCKPMRTEI-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.30
Rot. Bonds3

About 3,3-dimethyl-N-(1-phenylethyl)butanamide

3,3-dimethyl-N-(1-phenylethyl)butanamide (PubChem CID 5156149) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3,3-dimethyl-N-(1-phenylethyl)butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-(1-phenylethyl)butanamide
PubChem CID5156149
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3,3-dimethyl-N-(1-phenylethyl)butanamide
SMILESCC(NC(=O)CC(C)(C)C)c1ccccc1
InChIInChI=1S/C14H21NO/c1-11(12-8-6-5-7-9-12)15-13(16)10-14(2,3)4/h5-9,11H,10H2,1-4H3,(H,15,16)
InChIKeyMESAZVCKPMRTEI-UHFFFAOYSA-N
XLogP3.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-aminophenyl)ethyl]-3,3-dimethylbutanamide
CID 43297537
2-(3,3-dimethylbutanoylamino)-3-methyl-N-(1-phenylethyl)pentanamide
CID 42703986
(3R)-4,4,4-trifluoro-3-hydroxy-3-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 8865880
N-[1-(3-chlorophenyl)ethyl]-3,3-dimethylbutanamide
CID 78773548
2,2-diethyl-4-oxo-4-[[(1R)-1-phenylethyl]amino]butanoic acid
CID 78948228
N-[1-(4-cyanophenyl)ethyl]-3,3-dimethylbutanamide
CID 47161785
2-anilino-N-(1-phenylethyl)acetamide
CID 54810260
N-[(1R)-1-phenylethyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 7046108
N-[(1R)-1-phenylethyl]-2-sulfanylacetamide
CID 130013972
2-amino-N-(1-phenylethyl)acetamide
CID 10631169
2-fluoro-N-(1-phenylethyl)acetamide
CID 10329953
3-[3-[1-(3,3-dimethylbutanoylamino)ethyl]phenyl]prop-2-enoic acid
CID 76907550

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(1-phenylethyl)butanamide?
The IUPAC name of 3,3-dimethyl-N-(1-phenylethyl)butanamide (CID 5156149) is 3,3-dimethyl-N-(1-phenylethyl)butanamide.
What is the SMILES notation for 3,3-dimethyl-N-(1-phenylethyl)butanamide?
The canonical SMILES for 3,3-dimethyl-N-(1-phenylethyl)butanamide is CC(NC(=O)CC(C)(C)C)c1ccccc1.
What is the InChIKey of 3,3-dimethyl-N-(1-phenylethyl)butanamide?
The InChIKey is MESAZVCKPMRTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11(12-8-6-5-7-9-12)15-13(16)10-14(2,3)4/h5-9,11H,10H2,1-4H3,(H,15,16).
What are the key properties of 3,3-dimethyl-N-(1-phenylethyl)butanamide?
3,3-dimethyl-N-(1-phenylethyl)butanamide has a molecular weight of 219.33 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(1-phenylethyl)butanamide is sourced from PubChem (CID 5156149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).