N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-(4-nitrophenyl)acetamide

C20H20N2O5 — CID 51214021

IUPACN-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-(4-nitrophenyl)acetamide
SMILESCCOc1cccc2cc(C(C)NC(=O)Cc3ccc([N+](=O)[O-])cc3)oc12
InChIInChI=1S/C20H20N2O5/c1-3-26-17-6-4-5-15-12-18(27-20(15)17)13(2)21-19(23)11-14-7-9-16(10-8-14)22(24)25/h4-10,12-13H,3,11H2,1-2H3,(H,21,23)
InChIKeyAJZOWENBKBCGFG-UHFFFAOYSA-N
MW368.39 g/mol
LogP4.16
Rot. Bonds7

About N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-(4-nitrophenyl)acetamide

N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-(4-nitrophenyl)acetamide (PubChem CID 51214021) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-(4-nitrophenyl)acetamide
PubChem CID51214021
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC NameN-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-(4-nitrophenyl)acetamide
SMILESCCOc1cccc2cc(C(C)NC(=O)Cc3ccc([N+](=O)[O-])cc3)oc12
InChIInChI=1S/C20H20N2O5/c1-3-26-17-6-4-5-15-12-18(27-20(15)17)13(2)21-19(23)11-14-7-9-16(10-8-14)22(24)25/h4-10,12-13H,3,11H2,1-2H3,(H,21,23)
InChIKeyAJZOWENBKBCGFG-UHFFFAOYSA-N
XLogP4.16
TPSA94.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 54.16
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

N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(4-nitrophenyl)acetamide
CID 9366397
4-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]pentanamide
CID 120559371
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-fluoroprop-2-enamide
CID 166417291
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 55396325
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-4-methoxybenzamide
CID 60607084
2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]acetamide
CID 55537196
1-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]cyclohexane-1-carboxamide
CID 119273327
N-[2-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 17403478
1-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]ethanol
CID 175788600
2-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-phenylacetamide;hydrochloride
CID 119273318
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-hydroxycyclopentane-1-carboxamide
CID 110015116
7-methoxy-N-[(1R)-1-(4-nitrophenyl)ethyl]-1-benzofuran-2-carboxamide
CID 11588130

Frequently Asked Questions

What is the IUPAC name of N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-(4-nitrophenyl)acetamide (CID 51214021) is N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-(4-nitrophenyl)acetamide is CCOc1cccc2cc(C(C)NC(=O)Cc3ccc([N+](=O)[O-])cc3)oc12.
What is the InChIKey of N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-(4-nitrophenyl)acetamide?
The InChIKey is AJZOWENBKBCGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-3-26-17-6-4-5-15-12-18(27-20(15)17)13(2)21-19(23)11-14-7-9-16(10-8-14)22(24)25/h4-10,12-13H,3,11H2,1-2H3,(H,21,23).
What are the key properties of N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-(4-nitrophenyl)acetamide?
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-(4-nitrophenyl)acetamide has a molecular weight of 368.39 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 51214021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).