N-(3-formamidopropyl)-3-oxo-3-phenylpropanamide

C13H16N2O3 — CID 110463360

IUPACN-(3-formamidopropyl)-3-oxo-3-phenylpropanamide
SMILESO=CNCCCNC(=O)CC(=O)c1ccccc1
InChIInChI=1S/C13H16N2O3/c16-10-14-7-4-8-15-13(18)9-12(17)11-5-2-1-3-6-11/h1-3,5-6,10H,4,7-9H2,(H,14,16)(H,15,18)
InChIKeyPWBVGWVOLVSBRM-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.51
Rot. Bonds8

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

N-(3-formamidopropyl)-3-oxo-3-phenylpropanamide (PubChem CID 110463360) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is N-(3-formamidopropyl)-3-oxo-3-phenylpropanamide.

Molecular Properties

Compound NameN-(3-formamidopropyl)-3-oxo-3-phenylpropanamide
PubChem CID110463360
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC NameN-(3-formamidopropyl)-3-oxo-3-phenylpropanamide
SMILESO=CNCCCNC(=O)CC(=O)c1ccccc1
InChIInChI=1S/C13H16N2O3/c16-10-14-7-4-8-15-13(18)9-12(17)11-5-2-1-3-6-11/h1-3,5-6,10H,4,7-9H2,(H,14,16)(H,15,18)
InChIKeyPWBVGWVOLVSBRM-UHFFFAOYSA-N
XLogP0.51
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-3-oxo-3-phenylpropanamide
CID 110463344
4-(4-fluorophenyl)-N-(3-formamidopropyl)-4-oxobutanamide
CID 108795606
N-[3-(2-phenylethylcarbamoylamino)propyl]formamide
CID 108888088
N-(6-hydroxyhexyl)-5-oxo-5-phenylpentanamide
CID 108807536
N-(3-acetamidopropyl)-5-oxo-5-phenylpentanamide
CID 110354627
2-amino-N-(3-formamidopropyl)-2-phenylacetamide
CID 110463054
bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423
2-bromo-N-(3-formamidopropyl)acetamide
CID 122608311
6-formamido-N-phenylhexanamide
CID 156509815
3-[(5-oxo-5-phenylpentanoyl)amino]propanoic acid
CID 108796142
N-[3-[(1-phenylcyclopropyl)carbamoylamino]propyl]formamide
CID 110469237

Frequently Asked Questions

What is the IUPAC name of N-(3-formamidopropyl)-3-oxo-3-phenylpropanamide?
The IUPAC name of N-(3-formamidopropyl)-3-oxo-3-phenylpropanamide (CID 110463360) is N-(3-formamidopropyl)-3-oxo-3-phenylpropanamide.
What is the SMILES notation for N-(3-formamidopropyl)-3-oxo-3-phenylpropanamide?
The canonical SMILES for N-(3-formamidopropyl)-3-oxo-3-phenylpropanamide is O=CNCCCNC(=O)CC(=O)c1ccccc1.
What is the InChIKey of N-(3-formamidopropyl)-3-oxo-3-phenylpropanamide?
The InChIKey is PWBVGWVOLVSBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c16-10-14-7-4-8-15-13(18)9-12(17)11-5-2-1-3-6-11/h1-3,5-6,10H,4,7-9H2,(H,14,16)(H,15,18).
What are the key properties of N-(3-formamidopropyl)-3-oxo-3-phenylpropanamide?
N-(3-formamidopropyl)-3-oxo-3-phenylpropanamide has a molecular weight of 248.28 g/mol, XLogP of 0.51, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-formamidopropyl)-3-oxo-3-phenylpropanamide is sourced from PubChem (CID 110463360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).