2-acetamido-4-phenylbutanamide

C12H16N2O2 — CID 67451841

IUPAC2-acetamido-4-phenylbutanamide
SMILESCC(=O)NC(CCc1ccccc1)C(N)=O
InChIInChI=1S/C12H16N2O2/c1-9(15)14-11(12(13)16)8-7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H2,13,16)(H,14,15)
InChIKeyZBYKNCWAEDHVKE-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.61
Rot. Bonds5

About 2-acetamido-4-phenylbutanamide

2-acetamido-4-phenylbutanamide (PubChem CID 67451841) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-acetamido-4-phenylbutanamide.

Molecular Properties

Compound Name2-acetamido-4-phenylbutanamide
PubChem CID67451841
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-acetamido-4-phenylbutanamide
SMILESCC(=O)NC(CCc1ccccc1)C(N)=O
InChIInChI=1S/C12H16N2O2/c1-9(15)14-11(12(13)16)8-7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H2,13,16)(H,14,15)
InChIKeyZBYKNCWAEDHVKE-UHFFFAOYSA-N
XLogP0.61
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-acetamido-4-phenylbutanoate
CID 86308206
ethane;(2S)-2-(methylamino)-4-phenylbutanamide
CID 142110580
(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-phenylbutanamide
CID 14991605
2-acetamido-3-phenylpropanamide;ethane
CID 144643683
2-[(2-acetamido-3-phenylpropanoyl)amino]-3-phenylpropanamide
CID 15923651
4-phenyl-2-(propan-2-ylamino)butanamide
CID 62881281
N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208
2-[(2-acetamido-3-phenylpropanoyl)amino]-6-aminohexanamide
CID 23276388
(2S)-2-methyl-4-phenylbutanamide;molecular hydrogen
CID 143947472
N-(1-amino-1-oxo-4-phenylbutan-2-yl)-2-phenylbenzamide
CID 68725551
ethane;(3S)-3-(methylamino)-5-phenylpentan-2-one
CID 142958851
2-[(2-acetamido-3-phenylpropanoyl)amino]-4-methylpentanamide
CID 14703982

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-4-phenylbutanamide?
The IUPAC name of 2-acetamido-4-phenylbutanamide (CID 67451841) is 2-acetamido-4-phenylbutanamide.
What is the SMILES notation for 2-acetamido-4-phenylbutanamide?
The canonical SMILES for 2-acetamido-4-phenylbutanamide is CC(=O)NC(CCc1ccccc1)C(N)=O.
What is the InChIKey of 2-acetamido-4-phenylbutanamide?
The InChIKey is ZBYKNCWAEDHVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-9(15)14-11(12(13)16)8-7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H2,13,16)(H,14,15).
What are the key properties of 2-acetamido-4-phenylbutanamide?
2-acetamido-4-phenylbutanamide has a molecular weight of 220.27 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-4-phenylbutanamide is sourced from PubChem (CID 67451841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).