4-(3-aminophenyl)-4-oxo-N-propylbutanamide

C13H18N2O2 — CID 94262243

IUPAC4-(3-aminophenyl)-4-oxo-N-propylbutanamide
SMILESCCCNC(=O)CCC(=O)c1cccc(N)c1
InChIInChI=1S/C13H18N2O2/c1-2-8-15-13(17)7-6-12(16)10-4-3-5-11(14)9-10/h3-5,9H,2,6-8,14H2,1H3,(H,15,17)
InChIKeyOONSSMCZKAXTKL-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.76
Rot. Bonds6

About 4-(3-aminophenyl)-4-oxo-N-propylbutanamide

4-(3-aminophenyl)-4-oxo-N-propylbutanamide (PubChem CID 94262243) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-(3-aminophenyl)-4-oxo-N-propylbutanamide.

Molecular Properties

Compound Name4-(3-aminophenyl)-4-oxo-N-propylbutanamide
PubChem CID94262243
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name4-(3-aminophenyl)-4-oxo-N-propylbutanamide
SMILESCCCNC(=O)CCC(=O)c1cccc(N)c1
InChIInChI=1S/C13H18N2O2/c1-2-8-15-13(17)7-6-12(16)10-4-3-5-11(14)9-10/h3-5,9H,2,6-8,14H2,1H3,(H,15,17)
InChIKeyOONSSMCZKAXTKL-UHFFFAOYSA-N
XLogP1.76
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(3-amino-4-chlorophenyl)-4-oxo-N-propylbutanamide
CID 94279162
4-(3-aminophenyl)-4-oxo-N-propan-2-ylbutanamide
CID 94262244
4-(3-aminophenyl)-N-tert-butyl-4-oxobutanamide
CID 94267729
3-(3-aminophenyl)-N-propylpropanamide
CID 28713263
2-(3-aminophenyl)-N-propylacetamide
CID 28689659
1-(3-aminophenyl)decan-1-one
CID 116548502
1-(3-aminophenyl)undecan-1-one
CID 116548557
1-(3-aminophenyl)-3-bromopropan-1-one
CID 67069014
1-(3-aminophenyl)-3-(tert-butylamino)propan-1-one
CID 96658922
1-(3-aminophenyl)-3-(propan-2-ylamino)propan-1-one
CID 96657468
1-(3-aminophenyl)propan-1-one;propane
CID 145257024
4-oxo-N-propyl-4-(4-propylphenyl)butanamide
CID 94273839

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminophenyl)-4-oxo-N-propylbutanamide?
The IUPAC name of 4-(3-aminophenyl)-4-oxo-N-propylbutanamide (CID 94262243) is 4-(3-aminophenyl)-4-oxo-N-propylbutanamide.
What is the SMILES notation for 4-(3-aminophenyl)-4-oxo-N-propylbutanamide?
The canonical SMILES for 4-(3-aminophenyl)-4-oxo-N-propylbutanamide is CCCNC(=O)CCC(=O)c1cccc(N)c1.
What is the InChIKey of 4-(3-aminophenyl)-4-oxo-N-propylbutanamide?
The InChIKey is OONSSMCZKAXTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-2-8-15-13(17)7-6-12(16)10-4-3-5-11(14)9-10/h3-5,9H,2,6-8,14H2,1H3,(H,15,17).
What are the key properties of 4-(3-aminophenyl)-4-oxo-N-propylbutanamide?
4-(3-aminophenyl)-4-oxo-N-propylbutanamide has a molecular weight of 234.30 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminophenyl)-4-oxo-N-propylbutanamide is sourced from PubChem (CID 94262243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).