N-hexyl-2-(2-nitrophenyl)acetamide

C14H20N2O3 — CID 3386287

IUPACN-hexyl-2-(2-nitrophenyl)acetamide
SMILESCCCCCCNC(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H20N2O3/c1-2-3-4-7-10-15-14(17)11-12-8-5-6-9-13(12)16(18)19/h5-6,8-9H,2-4,7,10-11H2,1H3,(H,15,17)
InChIKeyGVKFWDXCQDTMTR-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.83
Rot. Bonds8

About N-hexyl-2-(2-nitrophenyl)acetamide

N-hexyl-2-(2-nitrophenyl)acetamide (PubChem CID 3386287) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-hexyl-2-(2-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-hexyl-2-(2-nitrophenyl)acetamide
PubChem CID3386287
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-hexyl-2-(2-nitrophenyl)acetamide
SMILESCCCCCCNC(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H20N2O3/c1-2-3-4-7-10-15-14(17)11-12-8-5-6-9-13(12)16(18)19/h5-6,8-9H,2-4,7,10-11H2,1H3,(H,15,17)
InChIKeyGVKFWDXCQDTMTR-UHFFFAOYSA-N
XLogP2.83
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(ethylamino)propyl]-2-(2-nitrophenyl)acetamide
CID 43601616
N-(3-ethoxypropyl)-2-(2-nitrophenyl)acetamide
CID 2179209
N-[3-(dimethylamino)propyl]-2-(2-nitrophenyl)acetamide
CID 3387628
2-[(2-nitrophenyl)methylamino]-N-pentylpropanamide
CID 61068301
N-[(2-nitrophenyl)methyl]nonan-1-amine
CID 60669264
N-[3-(N-ethylanilino)propyl]-2-(2-nitrophenyl)acetamide
CID 41278296
2-hydroxy-3-nitro-N-octylbenzamide
CID 107076295
N-[2-(2-nitrophenyl)ethyl]pentan-1-amine
CID 55145861
N-hexadecyl-2-methyl-6-nitrobenzamide
CID 173399090
2-methyl-3-nitro-N-nonylbenzamide
CID 4171333
2-[2-(octylamino)-2-oxoethyl]benzoic acid
CID 104601721
2-naphthalen-1-yl-N-octadecylacetamide
CID 71334923

Frequently Asked Questions

What is the IUPAC name of N-hexyl-2-(2-nitrophenyl)acetamide?
The IUPAC name of N-hexyl-2-(2-nitrophenyl)acetamide (CID 3386287) is N-hexyl-2-(2-nitrophenyl)acetamide.
What is the SMILES notation for N-hexyl-2-(2-nitrophenyl)acetamide?
The canonical SMILES for N-hexyl-2-(2-nitrophenyl)acetamide is CCCCCCNC(=O)Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-hexyl-2-(2-nitrophenyl)acetamide?
The InChIKey is GVKFWDXCQDTMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-3-4-7-10-15-14(17)11-12-8-5-6-9-13(12)16(18)19/h5-6,8-9H,2-4,7,10-11H2,1H3,(H,15,17).
What are the key properties of N-hexyl-2-(2-nitrophenyl)acetamide?
N-hexyl-2-(2-nitrophenyl)acetamide has a molecular weight of 264.32 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-2-(2-nitrophenyl)acetamide is sourced from PubChem (CID 3386287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).