2-(2-nitrophenyl)-N-pentan-3-ylacetamide

C13H18N2O3 — CID 884922

IUPAC2-(2-nitrophenyl)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H18N2O3/c1-3-11(4-2)14-13(16)9-10-7-5-6-8-12(10)15(17)18/h5-8,11H,3-4,9H2,1-2H3,(H,14,16)
InChIKeyJGYCENHXKFGXSK-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.44
Rot. Bonds6

About 2-(2-nitrophenyl)-N-pentan-3-ylacetamide

2-(2-nitrophenyl)-N-pentan-3-ylacetamide (PubChem CID 884922) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-(2-nitrophenyl)-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-(2-nitrophenyl)-N-pentan-3-ylacetamide
PubChem CID884922
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-(2-nitrophenyl)-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H18N2O3/c1-3-11(4-2)14-13(16)9-10-7-5-6-8-12(10)15(17)18/h5-8,11H,3-4,9H2,1-2H3,(H,14,16)
InChIKeyJGYCENHXKFGXSK-UHFFFAOYSA-N
XLogP2.44
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(1-aminopentan-2-yl)-2-(2-nitrophenyl)acetamide
CID 65191595
2-(2-nitrophenyl)-N-[(2R)-pentan-2-yl]acetamide
CID 874422
N-(1-hydroxypropan-2-yl)-2-(2-nitrophenyl)acetamide
CID 43418816
N-[(2-nitrophenyl)methyl]pentan-3-amine
CID 28566580
N-[1-(4-methoxyphenyl)propyl]-2-(2-nitrophenyl)acetamide
CID 51187449
2-(2-nitrophenyl)-N-(4-phenylbutan-2-yl)acetamide
CID 51157947
N-(1-amino-3-methylbutan-2-yl)-2-(2-nitrophenyl)acetamide
CID 65192594
N-hexyl-2-(2-nitrophenyl)acetamide
CID 3386287
N-[1-(3,4-dimethoxyphenyl)propyl]-2-(2-nitrophenyl)acetamide
CID 132653987
N-[2-(2-nitrophenyl)ethyl]pentan-3-amine
CID 55145860
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-(2-nitrophenyl)acetamide
CID 103602216
N-[(2S)-2-hydroxypropyl]-2-(2-nitrophenyl)acetamide
CID 83030865

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenyl)-N-pentan-3-ylacetamide?
The IUPAC name of 2-(2-nitrophenyl)-N-pentan-3-ylacetamide (CID 884922) is 2-(2-nitrophenyl)-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-(2-nitrophenyl)-N-pentan-3-ylacetamide?
The canonical SMILES for 2-(2-nitrophenyl)-N-pentan-3-ylacetamide is CCC(CC)NC(=O)Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-(2-nitrophenyl)-N-pentan-3-ylacetamide?
The InChIKey is JGYCENHXKFGXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-3-11(4-2)14-13(16)9-10-7-5-6-8-12(10)15(17)18/h5-8,11H,3-4,9H2,1-2H3,(H,14,16).
What are the key properties of 2-(2-nitrophenyl)-N-pentan-3-ylacetamide?
2-(2-nitrophenyl)-N-pentan-3-ylacetamide has a molecular weight of 250.30 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenyl)-N-pentan-3-ylacetamide is sourced from PubChem (CID 884922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).