N-(acetylcarbamoyl)-2-phenylbutanamide

C13H16N2O3 — CID 1999

💊View drug profile → acetylpheneturide
IUPACN-(acetylcarbamoyl)-2-phenylbutanamide
SMILESCCC(C(=O)NC(=O)NC(C)=O)c1ccccc1
InChIInChI=1S/C13H16N2O3/c1-3-11(10-7-5-4-6-8-10)12(17)15-13(18)14-9(2)16/h4-8,11H,3H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyGBPZSCQLDXUGNO-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.55
Rot. Bonds3

About N-(acetylcarbamoyl)-2-phenylbutanamide

N-(acetylcarbamoyl)-2-phenylbutanamide (PubChem CID 1999) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is N-(acetylcarbamoyl)-2-phenylbutanamide.

Molecular Properties

Compound NameN-(acetylcarbamoyl)-2-phenylbutanamide
PubChem CID1999
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC NameN-(acetylcarbamoyl)-2-phenylbutanamide
SMILESCCC(C(=O)NC(=O)NC(C)=O)c1ccccc1
InChIInChI=1S/C13H16N2O3/c1-3-11(10-7-5-4-6-8-10)12(17)15-13(18)14-9(2)16/h4-8,11H,3H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyGBPZSCQLDXUGNO-UHFFFAOYSA-N
XLogP1.55
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Phenacemide
CID 4753
Phenobarbital
CID 4763
Mephobarbital
CID 8271
Pheneturide
CID 72060
Nirvanol
CID 91480
Phenallymal
CID 8274
Phenylmethylbarbituric acid
CID 66160
2-Phenylbutanamide
CID 7011
(5S)-5-methyl-5-phenylimidazolidine-2,4-dione
CID 640021
5-Phenyl-5-propylimidazolidine-2,4-dione
CID 219572
5-Methyl-5-phenylhydantoin
CID 93043
Fenimide
CID 6068

Frequently Asked Questions

What is the IUPAC name of N-(acetylcarbamoyl)-2-phenylbutanamide?
The IUPAC name of N-(acetylcarbamoyl)-2-phenylbutanamide (CID 1999) is N-(acetylcarbamoyl)-2-phenylbutanamide.
What is the SMILES notation for N-(acetylcarbamoyl)-2-phenylbutanamide?
The canonical SMILES for N-(acetylcarbamoyl)-2-phenylbutanamide is CCC(C(=O)NC(=O)NC(C)=O)c1ccccc1.
What is the InChIKey of N-(acetylcarbamoyl)-2-phenylbutanamide?
The InChIKey is GBPZSCQLDXUGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-3-11(10-7-5-4-6-8-10)12(17)15-13(18)14-9(2)16/h4-8,11H,3H2,1-2H3,(H2,14,15,16,17,18).
What are the key properties of N-(acetylcarbamoyl)-2-phenylbutanamide?
N-(acetylcarbamoyl)-2-phenylbutanamide has a molecular weight of 248.28 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(acetylcarbamoyl)-2-phenylbutanamide is sourced from PubChem (CID 1999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).