2-(azocan-1-yl)-N-(4-nitrophenyl)acetamide

C15H21N3O3 — CID 8583783

IUPAC2-(azocan-1-yl)-N-(4-nitrophenyl)acetamide
SMILESO=C(CN1CCCCCCC1)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H21N3O3/c19-15(12-17-10-4-2-1-3-5-11-17)16-13-6-8-14(9-7-13)18(20)21/h6-9H,1-5,10-12H2,(H,16,19)
InChIKeyIQIYMPCHOMWOTA-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.80
Rot. Bonds4

About 2-(azocan-1-yl)-N-(4-nitrophenyl)acetamide

2-(azocan-1-yl)-N-(4-nitrophenyl)acetamide (PubChem CID 8583783) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-(azocan-1-yl)-N-(4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(azocan-1-yl)-N-(4-nitrophenyl)acetamide
PubChem CID8583783
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-(azocan-1-yl)-N-(4-nitrophenyl)acetamide
SMILESO=C(CN1CCCCCCC1)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H21N3O3/c19-15(12-17-10-4-2-1-3-5-11-17)16-13-6-8-14(9-7-13)18(20)21/h6-9H,1-5,10-12H2,(H,16,19)
InChIKeyIQIYMPCHOMWOTA-UHFFFAOYSA-N
XLogP2.80
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-nitrophenyl)-2-piperidin-1-ylacetamide
CID 687323
N-(2-bromo-4-nitrophenyl)-2-piperidin-1-ylacetamide
CID 2946043
2-(4-benzhydrylpiperazin-1-yl)-N-(4-nitrophenyl)acetamide
CID 22198313
N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide
CID 54814408
2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(4-nitrophenyl)acetamide
CID 8930781
N-(4-cyanophenyl)-2-piperidin-1-ylacetamide
CID 2697414
2-[(2S)-2-methylpiperidin-1-yl]-N-(4-nitrophenyl)acetamide
CID 8583375
2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide
CID 22198786
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide
CID 8530335
2-[4-(4-nitrophenyl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 3568177
2-(azepan-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 732235
2-(2-methylmorpholin-4-yl)-N-(4-nitrophenyl)acetamide
CID 47135180

Frequently Asked Questions

What is the IUPAC name of 2-(azocan-1-yl)-N-(4-nitrophenyl)acetamide?
The IUPAC name of 2-(azocan-1-yl)-N-(4-nitrophenyl)acetamide (CID 8583783) is 2-(azocan-1-yl)-N-(4-nitrophenyl)acetamide.
What is the SMILES notation for 2-(azocan-1-yl)-N-(4-nitrophenyl)acetamide?
The canonical SMILES for 2-(azocan-1-yl)-N-(4-nitrophenyl)acetamide is O=C(CN1CCCCCCC1)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(azocan-1-yl)-N-(4-nitrophenyl)acetamide?
The InChIKey is IQIYMPCHOMWOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c19-15(12-17-10-4-2-1-3-5-11-17)16-13-6-8-14(9-7-13)18(20)21/h6-9H,1-5,10-12H2,(H,16,19).
What are the key properties of 2-(azocan-1-yl)-N-(4-nitrophenyl)acetamide?
2-(azocan-1-yl)-N-(4-nitrophenyl)acetamide has a molecular weight of 291.35 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azocan-1-yl)-N-(4-nitrophenyl)acetamide is sourced from PubChem (CID 8583783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).