N-(3-aminopropyl)-3-oxo-3-phenylpropanamide

C12H16N2O2 — CID 110463344

IUPACN-(3-aminopropyl)-3-oxo-3-phenylpropanamide
SMILESNCCCNC(=O)CC(=O)c1ccccc1
InChIInChI=1S/C12H16N2O2/c13-7-4-8-14-12(16)9-11(15)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9,13H2,(H,14,16)
InChIKeySTXRGLATMAKMOL-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.72
Rot. Bonds6

About N-(3-aminopropyl)-3-oxo-3-phenylpropanamide

N-(3-aminopropyl)-3-oxo-3-phenylpropanamide (PubChem CID 110463344) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-oxo-3-phenylpropanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-oxo-3-phenylpropanamide
PubChem CID110463344
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-(3-aminopropyl)-3-oxo-3-phenylpropanamide
SMILESNCCCNC(=O)CC(=O)c1ccccc1
InChIInChI=1S/C12H16N2O2/c13-7-4-8-14-12(16)9-11(15)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9,13H2,(H,14,16)
InChIKeySTXRGLATMAKMOL-UHFFFAOYSA-N
XLogP0.72
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(3-formamidopropyl)-3-oxo-3-phenylpropanamide
CID 110463360
S-[2-[[2-[[2-[[2-(3-aminopropylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl] benzenecarbothioate
CID 90452282
N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-phenylacetamide
CID 71541381
bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423
N-(3-aminopropyl)-4-(4-chlorophenyl)-4-oxobutanamide;hydrochloride
CID 119407638
N-[(4-aminophenyl)methyl]-3-oxo-3-phenylpropanamide
CID 110483777
N-(3-aminopropyl)-2,2-diphenylacetamide
CID 10539859
N-(4-aminobutyl)benzenecarbothioamide
CID 172849592
N-(3-acetamidopropyl)-5-oxo-5-phenylpentanamide
CID 110354627
N-(6-hydroxyhexyl)-5-oxo-5-phenylpentanamide
CID 108807536
2-[2-(4-aminobutylamino)-2-oxoethyl]benzoic acid
CID 113431497

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-oxo-3-phenylpropanamide?
The IUPAC name of N-(3-aminopropyl)-3-oxo-3-phenylpropanamide (CID 110463344) is N-(3-aminopropyl)-3-oxo-3-phenylpropanamide.
What is the SMILES notation for N-(3-aminopropyl)-3-oxo-3-phenylpropanamide?
The canonical SMILES for N-(3-aminopropyl)-3-oxo-3-phenylpropanamide is NCCCNC(=O)CC(=O)c1ccccc1.
What is the InChIKey of N-(3-aminopropyl)-3-oxo-3-phenylpropanamide?
The InChIKey is STXRGLATMAKMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c13-7-4-8-14-12(16)9-11(15)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9,13H2,(H,14,16).
What are the key properties of N-(3-aminopropyl)-3-oxo-3-phenylpropanamide?
N-(3-aminopropyl)-3-oxo-3-phenylpropanamide has a molecular weight of 220.27 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-oxo-3-phenylpropanamide is sourced from PubChem (CID 110463344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).