2-(4-acetamidophenyl)-N-(3-aminopropyl)acetamide

C13H19N3O2 — CID 108792677

IUPAC2-(4-acetamidophenyl)-N-(3-aminopropyl)acetamide
SMILESCC(=O)Nc1ccc(CC(=O)NCCCN)cc1
InChIInChI=1S/C13H19N3O2/c1-10(17)16-12-5-3-11(4-6-12)9-13(18)15-8-2-7-14/h3-6H,2,7-9,14H2,1H3,(H,15,18)(H,16,17)
InChIKeyVAGQZNIFMMCFBK-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.65
Rot. Bonds6

About 2-(4-acetamidophenyl)-N-(3-aminopropyl)acetamide

2-(4-acetamidophenyl)-N-(3-aminopropyl)acetamide (PubChem CID 108792677) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)-N-(3-aminopropyl)acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)-N-(3-aminopropyl)acetamide
PubChem CID108792677
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-(4-acetamidophenyl)-N-(3-aminopropyl)acetamide
SMILESCC(=O)Nc1ccc(CC(=O)NCCCN)cc1
InChIInChI=1S/C13H19N3O2/c1-10(17)16-12-5-3-11(4-6-12)9-13(18)15-8-2-7-14/h3-6H,2,7-9,14H2,1H3,(H,15,18)(H,16,17)
InChIKeyVAGQZNIFMMCFBK-UHFFFAOYSA-N
XLogP0.65
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-acetamidophenyl)-N-(6-aminohexyl)acetamide
CID 108792623
2-(4-acetamidophenyl)-N-(2-hydroxyethyl)acetamide
CID 11287807
2-(4-acetamidophenyl)-N-[3-(dimethylamino)propyl]acetamide
CID 78804891
2-(4-acetamidophenyl)-N-(3-phenylpropyl)acetamide
CID 27647223
N-(3-aminopropyl)-2-(4-chlorophenyl)acetamide;hydrochloride
CID 119408603
N-(4-aminobutyl)-2-(4-methylphenyl)acetamide
CID 60895939
2-(4-acetamidophenyl)-N-(3-cyclopentylpropyl)acetamide
CID 38857062
N-[(4-acetamidophenyl)methyl]-4-aminobutanamide
CID 61260318
2-[4-(1-aminoethyl)phenyl]-N-(3-aminopropyl)acetamide
CID 123947658
2-(4-acetamidophenyl)-N-[2-(diethylamino)ethyl]acetamide
CID 108792640
N-[(4-acetamidophenyl)methyl]-4-aminobutanamide;hydrochloride
CID 119277262
N-[4-[(2-aminoethylamino)methyl]phenyl]acetamide
CID 60887172

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)-N-(3-aminopropyl)acetamide?
The IUPAC name of 2-(4-acetamidophenyl)-N-(3-aminopropyl)acetamide (CID 108792677) is 2-(4-acetamidophenyl)-N-(3-aminopropyl)acetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)-N-(3-aminopropyl)acetamide?
The canonical SMILES for 2-(4-acetamidophenyl)-N-(3-aminopropyl)acetamide is CC(=O)Nc1ccc(CC(=O)NCCCN)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)-N-(3-aminopropyl)acetamide?
The InChIKey is VAGQZNIFMMCFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10(17)16-12-5-3-11(4-6-12)9-13(18)15-8-2-7-14/h3-6H,2,7-9,14H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 2-(4-acetamidophenyl)-N-(3-aminopropyl)acetamide?
2-(4-acetamidophenyl)-N-(3-aminopropyl)acetamide has a molecular weight of 249.31 g/mol, XLogP of 0.65, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)-N-(3-aminopropyl)acetamide is sourced from PubChem (CID 108792677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).