2-(2-nitrophenoxy)-N-[(1R)-1-pyridin-2-ylethyl]acetamide

C15H15N3O4 — CID 8700559

IUPAC2-(2-nitrophenoxy)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
SMILESC[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1ccccn1
InChIInChI=1S/C15H15N3O4/c1-11(12-6-4-5-9-16-12)17-15(19)10-22-14-8-3-2-7-13(14)18(20)21/h2-9,11H,10H2,1H3,(H,17,19)/t11-/m1/s1
InChIKeyMAITWSRRAZHKOU-LLVKDONJSA-N
MW301.30 g/mol
LogP2.25
Rot. Bonds6

About 2-(2-nitrophenoxy)-N-[(1R)-1-pyridin-2-ylethyl]acetamide

2-(2-nitrophenoxy)-N-[(1R)-1-pyridin-2-ylethyl]acetamide (PubChem CID 8700559) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is 2-(2-nitrophenoxy)-N-[(1R)-1-pyridin-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-(2-nitrophenoxy)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
PubChem CID8700559
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Name2-(2-nitrophenoxy)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
SMILESC[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1ccccn1
InChIInChI=1S/C15H15N3O4/c1-11(12-6-4-5-9-16-12)17-15(19)10-22-14-8-3-2-7-13(14)18(20)21/h2-9,11H,10H2,1H3,(H,17,19)/t11-/m1/s1
InChIKeyMAITWSRRAZHKOU-LLVKDONJSA-N
XLogP2.25
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2-nitrophenoxy)-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 8700556
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 108737244
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 7719046
N-(4-hydroxybutan-2-yl)-2-(2-nitrophenoxy)acetamide
CID 115283580
methyl 2-[[2-(2-nitrophenoxy)acetyl]amino]propanoate
CID 60637868
N-[(2S)-1-methoxypropan-2-yl]-2-(2-nitrophenoxy)acetamide
CID 7858942
2-methoxy-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81407538
N-[1-(2,4-difluorophenyl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 17425695
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 7503595
2-nitro-N-(1-pyridin-2-ylethylcarbamoyl)benzeneamine oxide
CID 88806673
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 73419926
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2-(2-nitrophenoxy)acetamide
CID 2500589

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenoxy)-N-[(1R)-1-pyridin-2-ylethyl]acetamide?
The IUPAC name of 2-(2-nitrophenoxy)-N-[(1R)-1-pyridin-2-ylethyl]acetamide (CID 8700559) is 2-(2-nitrophenoxy)-N-[(1R)-1-pyridin-2-ylethyl]acetamide.
What is the SMILES notation for 2-(2-nitrophenoxy)-N-[(1R)-1-pyridin-2-ylethyl]acetamide?
The canonical SMILES for 2-(2-nitrophenoxy)-N-[(1R)-1-pyridin-2-ylethyl]acetamide is C[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1ccccn1.
What is the InChIKey of 2-(2-nitrophenoxy)-N-[(1R)-1-pyridin-2-ylethyl]acetamide?
The InChIKey is MAITWSRRAZHKOU-LLVKDONJSA-N. The full InChI is InChI=1S/C15H15N3O4/c1-11(12-6-4-5-9-16-12)17-15(19)10-22-14-8-3-2-7-13(14)18(20)21/h2-9,11H,10H2,1H3,(H,17,19)/t11-/m1/s1.
What are the key properties of 2-(2-nitrophenoxy)-N-[(1R)-1-pyridin-2-ylethyl]acetamide?
2-(2-nitrophenoxy)-N-[(1R)-1-pyridin-2-ylethyl]acetamide has a molecular weight of 301.30 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenoxy)-N-[(1R)-1-pyridin-2-ylethyl]acetamide is sourced from PubChem (CID 8700559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).