2-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethylamino]-N-methyl-5-nitrobenzamide

C20H21N3O5 — CID 133291943

IUPAC2-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethylamino]-N-methyl-5-nitrobenzamide
SMILESCNC(=O)c1cc([N+](=O)[O-])ccc1NC(C)c1oc2ccc(OC)cc2c1C
InChIInChI=1S/C20H21N3O5/c1-11-15-10-14(27-4)6-8-18(15)28-19(11)12(2)22-17-7-5-13(23(25)26)9-16(17)20(24)21-3/h5-10,12,22H,1-4H3,(H,21,24)
InChIKeyGCLREVWKPZDVJN-UHFFFAOYSA-N
MW383.40 g/mol
LogP4.19
Rot. Bonds6

About 2-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethylamino]-N-methyl-5-nitrobenzamide

2-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethylamino]-N-methyl-5-nitrobenzamide (PubChem CID 133291943) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is 2-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethylamino]-N-methyl-5-nitrobenzamide.

Molecular Properties

Compound Name2-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethylamino]-N-methyl-5-nitrobenzamide
PubChem CID133291943
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC Name2-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethylamino]-N-methyl-5-nitrobenzamide
SMILESCNC(=O)c1cc([N+](=O)[O-])ccc1NC(C)c1oc2ccc(OC)cc2c1C
InChIInChI=1S/C20H21N3O5/c1-11-15-10-14(27-4)6-8-18(15)28-19(11)12(2)22-17-7-5-13(23(25)26)9-16(17)20(24)21-3/h5-10,12,22H,1-4H3,(H,21,24)
InChIKeyGCLREVWKPZDVJN-UHFFFAOYSA-N
XLogP4.19
TPSA106.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 54.19
H-Bond Donors ≤ 52
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

5-amino-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-2-methylbenzamide
CID 120631158
N-(4-methoxyphenyl)-2-(methylamino)-5-nitrobenzamide
CID 4296283
N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]pyrazin-2-amine
CID 133291938
2-amino-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]pentanamide;hydrochloride
CID 119319244
N'-(2,4-dinitrophenyl)-6-methoxy-2-oxochromene-3-carbohydrazide
CID 3131118
N-methyl-5-nitro-2-[[3-(propan-2-yloxymethyl)phenyl]methylamino]benzamide
CID 87021113
1-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-[(1S)-1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]urea
CID 99804927
N-(4-methoxyphenyl)-5-nitro-1-benzofuran-3-carboxamide
CID 23770327
N-(2,4-dinitrophenyl)-6-methoxy-2-oxochromene-3-carboxamide
CID 21205557
[1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate
CID 3465132
N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 133291954
N-(2-chloro-4-nitrophenyl)-2-(5-methoxy-1-benzofuran-3-yl)acetamide
CID 18860866

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethylamino]-N-methyl-5-nitrobenzamide?
The IUPAC name of 2-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethylamino]-N-methyl-5-nitrobenzamide (CID 133291943) is 2-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethylamino]-N-methyl-5-nitrobenzamide.
What is the SMILES notation for 2-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethylamino]-N-methyl-5-nitrobenzamide?
The canonical SMILES for 2-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethylamino]-N-methyl-5-nitrobenzamide is CNC(=O)c1cc([N+](=O)[O-])ccc1NC(C)c1oc2ccc(OC)cc2c1C.
What is the InChIKey of 2-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethylamino]-N-methyl-5-nitrobenzamide?
The InChIKey is GCLREVWKPZDVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5/c1-11-15-10-14(27-4)6-8-18(15)28-19(11)12(2)22-17-7-5-13(23(25)26)9-16(17)20(24)21-3/h5-10,12,22H,1-4H3,(H,21,24).
What are the key properties of 2-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethylamino]-N-methyl-5-nitrobenzamide?
2-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethylamino]-N-methyl-5-nitrobenzamide has a molecular weight of 383.40 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethylamino]-N-methyl-5-nitrobenzamide is sourced from PubChem (CID 133291943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).