2-(3-nitrophenoxy)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide

C19H20N2O6 — CID 46411615

IUPAC2-(3-nitrophenoxy)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
SMILESO=C(COc1cccc([N+](=O)[O-])c1)Nc1cccc(OCC2CCCO2)c1
InChIInChI=1S/C19H20N2O6/c22-19(13-27-17-7-2-5-15(11-17)21(23)24)20-14-4-1-6-16(10-14)26-12-18-8-3-9-25-18/h1-2,4-7,10-11,18H,3,8-9,12-13H2,(H,20,22)
InChIKeyXNCHSKLEZHPIME-UHFFFAOYSA-N
MW372.38 g/mol
LogP3.17
Rot. Bonds8

About 2-(3-nitrophenoxy)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide

2-(3-nitrophenoxy)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide (PubChem CID 46411615) has the molecular formula C19H20N2O6 and a molecular weight of 372.38 g/mol. Its IUPAC name is 2-(3-nitrophenoxy)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-nitrophenoxy)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
PubChem CID46411615
Molecular FormulaC19H20N2O6
Molecular Weight372.38 g/mol
Exact Mass372.13
IUPAC Name2-(3-nitrophenoxy)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
SMILESO=C(COc1cccc([N+](=O)[O-])c1)Nc1cccc(OCC2CCCO2)c1
InChIInChI=1S/C19H20N2O6/c22-19(13-27-17-7-2-5-15(11-17)21(23)24)20-14-4-1-6-16(10-14)26-12-18-8-3-9-25-18/h1-2,4-7,10-11,18H,3,8-9,12-13H2,(H,20,22)
InChIKeyXNCHSKLEZHPIME-UHFFFAOYSA-N
XLogP3.17
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(4-chlorophenoxy)-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 41444851
N-[3-(oxolan-2-ylmethoxy)phenyl]-2-(4-propanoylphenoxy)acetamide
CID 46449164
2-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 119284095
2-methoxy-5-nitro-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 43057820
2-(methylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide;hydrochloride
CID 119713691
2-(ethylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54820938
2-(2,4-dimethylphenoxy)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 17141795
2-[[2-(3-nitrophenoxy)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 17361743
2-(4-chloro-2-methylphenoxy)-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 41444899
N-[3-(2-methylprop-2-enoxy)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828653
4-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 119284123
N-(3-nitrophenyl)-3-[(2S)-oxolan-2-yl]propanamide
CID 39095709

Frequently Asked Questions

What is the IUPAC name of 2-(3-nitrophenoxy)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide?
The IUPAC name of 2-(3-nitrophenoxy)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide (CID 46411615) is 2-(3-nitrophenoxy)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(3-nitrophenoxy)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide?
The canonical SMILES for 2-(3-nitrophenoxy)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide is O=C(COc1cccc([N+](=O)[O-])c1)Nc1cccc(OCC2CCCO2)c1.
What is the InChIKey of 2-(3-nitrophenoxy)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide?
The InChIKey is XNCHSKLEZHPIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O6/c22-19(13-27-17-7-2-5-15(11-17)21(23)24)20-14-4-1-6-16(10-14)26-12-18-8-3-9-25-18/h1-2,4-7,10-11,18H,3,8-9,12-13H2,(H,20,22).
What are the key properties of 2-(3-nitrophenoxy)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide?
2-(3-nitrophenoxy)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide has a molecular weight of 372.38 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitrophenoxy)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide is sourced from PubChem (CID 46411615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).