2-(3-aminophenyl)-N-(5-oxopentyl)acetamide

C13H18N2O2 — CID 59992785

IUPAC2-(3-aminophenyl)-N-(5-oxopentyl)acetamide
SMILESNc1cccc(CC(=O)NCCCCC=O)c1
InChIInChI=1S/C13H18N2O2/c14-12-6-4-5-11(9-12)10-13(17)15-7-2-1-3-8-16/h4-6,8-9H,1-3,7,10,14H2,(H,15,17)
InChIKeyGNTKEDFGXKBHIS-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.30
Rot. Bonds7

About 2-(3-aminophenyl)-N-(5-oxopentyl)acetamide

2-(3-aminophenyl)-N-(5-oxopentyl)acetamide (PubChem CID 59992785) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-(5-oxopentyl)acetamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-(5-oxopentyl)acetamide
PubChem CID59992785
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-(3-aminophenyl)-N-(5-oxopentyl)acetamide
SMILESNc1cccc(CC(=O)NCCCCC=O)c1
InChIInChI=1S/C13H18N2O2/c14-12-6-4-5-11(9-12)10-13(17)15-7-2-1-3-8-16/h4-6,8-9H,1-3,7,10,14H2,(H,15,17)
InChIKeyGNTKEDFGXKBHIS-UHFFFAOYSA-N
XLogP1.30
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.30
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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminophenyl)-N-propylacetamide
CID 28689659
2-(3-aminophenyl)-N-(3-cyanopropyl)acetamide
CID 65349832
2-(3-aminophenyl)-N-(3-methylsulfonylpropyl)acetamide
CID 62500011
5-(3-aminophenyl)pentanal
CID 54510654
2-(3-aminophenyl)-N-[4-[methyl(propan-2-yl)amino]butyl]acetamide
CID 62499698
2-(3-aminophenyl)-N-(2-sulfamoylethyl)acetamide
CID 55084090
2-(3-aminophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
CID 62498674
2-(3-aminophenyl)-N-(3-cyclohexyloxypropyl)acetamide
CID 65349877
2-(3-aminophenyl)-N-(cyclopropylmethyl)acetamide
CID 28689695
2-(3-aminophenyl)-N-[2-(tert-butylamino)-2-oxoethyl]acetamide
CID 65349911
6-[3-(3-aminophenyl)propanoylamino]hexanoic acid
CID 115341245
2-(3-aminophenyl)-N-(2-piperidin-1-ylethyl)acetamide
CID 62500018

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-(5-oxopentyl)acetamide?
The IUPAC name of 2-(3-aminophenyl)-N-(5-oxopentyl)acetamide (CID 59992785) is 2-(3-aminophenyl)-N-(5-oxopentyl)acetamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-(5-oxopentyl)acetamide?
The canonical SMILES for 2-(3-aminophenyl)-N-(5-oxopentyl)acetamide is Nc1cccc(CC(=O)NCCCCC=O)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-(5-oxopentyl)acetamide?
The InChIKey is GNTKEDFGXKBHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c14-12-6-4-5-11(9-12)10-13(17)15-7-2-1-3-8-16/h4-6,8-9H,1-3,7,10,14H2,(H,15,17).
What are the key properties of 2-(3-aminophenyl)-N-(5-oxopentyl)acetamide?
2-(3-aminophenyl)-N-(5-oxopentyl)acetamide has a molecular weight of 234.30 g/mol, XLogP of 1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-(5-oxopentyl)acetamide is sourced from PubChem (CID 59992785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).