N-[3-[(1-oxo-1-phenylpropan-2-yl)amino]propyl]acetamide

C14H20N2O2 — CID 82100086

IUPACN-[3-[(1-oxo-1-phenylpropan-2-yl)amino]propyl]acetamide
SMILESCC(=O)NCCCNC(C)C(=O)c1ccccc1
InChIInChI=1S/C14H20N2O2/c1-11(15-9-6-10-16-12(2)17)14(18)13-7-4-3-5-8-13/h3-5,7-8,11,15H,6,9-10H2,1-2H3,(H,16,17)
InChIKeyPPDBILVBSXMLFY-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.37
Rot. Bonds7

About N-[3-[(1-oxo-1-phenylpropan-2-yl)amino]propyl]acetamide

N-[3-[(1-oxo-1-phenylpropan-2-yl)amino]propyl]acetamide (PubChem CID 82100086) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[3-[(1-oxo-1-phenylpropan-2-yl)amino]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[(1-oxo-1-phenylpropan-2-yl)amino]propyl]acetamide
PubChem CID82100086
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[3-[(1-oxo-1-phenylpropan-2-yl)amino]propyl]acetamide
SMILESCC(=O)NCCCNC(C)C(=O)c1ccccc1
InChIInChI=1S/C14H20N2O2/c1-11(15-9-6-10-16-12(2)17)14(18)13-7-4-3-5-8-13/h3-5,7-8,11,15H,6,9-10H2,1-2H3,(H,16,17)
InChIKeyPPDBILVBSXMLFY-UHFFFAOYSA-N
XLogP1.37
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(1-oxo-1-phenylpropan-2-yl)amino]ethyl]acetamide
CID 82100041
2-(3-chlorobutylamino)-1-phenylpropan-1-one
CID 141202272
1-phenyl-2-(4-pyrrolidin-1-ylbutylamino)propan-1-one
CID 82100069
2-(3-morpholin-4-ylpropylamino)-1-phenylpropan-1-one
CID 82100038
(E)-N-(3-acetamidopropyl)-3-phenylbut-2-enamide
CID 110309509
N-(4-phenylpent-4-enyl)acetamide
CID 10798197
N-(3-deuterio-4-oxo-4-phenylbutyl)acetamide
CID 10632099
N-[(2S)-1-[3-[[(2S)-2-benzamidopropanoyl]amino]propylamino]-1-oxopropan-2-yl]benzamide
CID 71491154
N-(3-acetamidopropyl)-5-oxo-5-phenylpentanamide
CID 110354627
4-[[1-(4-methylphenyl)-1-oxopropan-2-yl]amino]butanoic acid
CID 82100127
N-(3-acetamidopropyl)-4-phenylbenzamide
CID 38450168
(2S)-1-(4-hydroxyphenyl)-2-(2-phenylethylamino)propan-1-one
CID 69303201

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1-oxo-1-phenylpropan-2-yl)amino]propyl]acetamide?
The IUPAC name of N-[3-[(1-oxo-1-phenylpropan-2-yl)amino]propyl]acetamide (CID 82100086) is N-[3-[(1-oxo-1-phenylpropan-2-yl)amino]propyl]acetamide.
What is the SMILES notation for N-[3-[(1-oxo-1-phenylpropan-2-yl)amino]propyl]acetamide?
The canonical SMILES for N-[3-[(1-oxo-1-phenylpropan-2-yl)amino]propyl]acetamide is CC(=O)NCCCNC(C)C(=O)c1ccccc1.
What is the InChIKey of N-[3-[(1-oxo-1-phenylpropan-2-yl)amino]propyl]acetamide?
The InChIKey is PPDBILVBSXMLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11(15-9-6-10-16-12(2)17)14(18)13-7-4-3-5-8-13/h3-5,7-8,11,15H,6,9-10H2,1-2H3,(H,16,17).
What are the key properties of N-[3-[(1-oxo-1-phenylpropan-2-yl)amino]propyl]acetamide?
N-[3-[(1-oxo-1-phenylpropan-2-yl)amino]propyl]acetamide has a molecular weight of 248.33 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1-oxo-1-phenylpropan-2-yl)amino]propyl]acetamide is sourced from PubChem (CID 82100086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).