2-(4-nitrophenoxy)-N-pentan-2-ylacetamide

C13H18N2O4 — CID 4810369

IUPAC2-(4-nitrophenoxy)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H18N2O4/c1-3-4-10(2)14-13(16)9-19-12-7-5-11(6-8-12)15(17)18/h5-8,10H,3-4,9H2,1-2H3,(H,14,16)
InChIKeyOSSPOHAKSOTYTK-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.28
Rot. Bonds7

About 2-(4-nitrophenoxy)-N-pentan-2-ylacetamide

2-(4-nitrophenoxy)-N-pentan-2-ylacetamide (PubChem CID 4810369) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(4-nitrophenoxy)-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-nitrophenoxy)-N-pentan-2-ylacetamide
PubChem CID4810369
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-(4-nitrophenoxy)-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H18N2O4/c1-3-4-10(2)14-13(16)9-19-12-7-5-11(6-8-12)15(17)18/h5-8,10H,3-4,9H2,1-2H3,(H,14,16)
InChIKeyOSSPOHAKSOTYTK-UHFFFAOYSA-N
XLogP2.28
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.28
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

[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-(4-nitrophenoxy)acetate
CID 7769987
N-butan-2-yl-2-(4-nitrophenoxy)acetamide
CID 4810367
2-(4-nitrophenoxy)-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 2632338
2-(4-cyanophenoxy)-N-[(2R)-pentan-2-yl]acetamide
CID 7503246
N-(2-methyl-4-oxopentan-3-yl)-2-(4-nitrophenoxy)acetamide
CID 60708304
N-[1-(2,6-difluorophenyl)propan-2-yl]-2-(4-nitrophenoxy)acetamide
CID 55849368
N'-[2-(4-nitrophenoxy)acetyl]butanehydrazide
CID 3510439
N'-[2-(4-nitrophenoxy)acetyl]-2-(4-propan-2-ylphenoxy)acetohydrazide
CID 4502703
N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]propanamide
CID 17204846
(2S)-4-hydroxy-2-[[2-(4-nitrophenoxy)acetyl]amino]butanoic acid
CID 107822565
2-[4-(1-aminopropyl)phenoxy]-N-pentan-2-ylacetamide
CID 61489836
2-(4-nitrophenyl)sulfanyl-N-[(2S)-pentan-2-yl]acetamide
CID 8892304

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenoxy)-N-pentan-2-ylacetamide?
The IUPAC name of 2-(4-nitrophenoxy)-N-pentan-2-ylacetamide (CID 4810369) is 2-(4-nitrophenoxy)-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-(4-nitrophenoxy)-N-pentan-2-ylacetamide?
The canonical SMILES for 2-(4-nitrophenoxy)-N-pentan-2-ylacetamide is CCCC(C)NC(=O)COc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(4-nitrophenoxy)-N-pentan-2-ylacetamide?
The InChIKey is OSSPOHAKSOTYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-3-4-10(2)14-13(16)9-19-12-7-5-11(6-8-12)15(17)18/h5-8,10H,3-4,9H2,1-2H3,(H,14,16).
What are the key properties of 2-(4-nitrophenoxy)-N-pentan-2-ylacetamide?
2-(4-nitrophenoxy)-N-pentan-2-ylacetamide has a molecular weight of 266.30 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenoxy)-N-pentan-2-ylacetamide is sourced from PubChem (CID 4810369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).