N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide

C23H23NO5 — CID 55396331

IUPACN-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide
SMILESCCOc1cccc2cc(C(C)NC(=O)C3(C)Cc4ccccc4C(=O)O3)oc12
InChIInChI=1S/C23H23NO5/c1-4-27-18-11-7-9-15-12-19(28-20(15)18)14(2)24-22(26)23(3)13-16-8-5-6-10-17(16)21(25)29-23/h5-12,14H,4,13H2,1-3H3,(H,24,26)
InChIKeyDOHNDIYOHKJVAU-UHFFFAOYSA-N
MW393.44 g/mol
LogP4.18
Rot. Bonds5

About N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide

N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide (PubChem CID 55396331) has the molecular formula C23H23NO5 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide.

Molecular Properties

Compound NameN-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide
PubChem CID55396331
Molecular FormulaC23H23NO5
Molecular Weight393.44 g/mol
Exact Mass393.16
IUPAC NameN-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide
SMILESCCOc1cccc2cc(C(C)NC(=O)C3(C)Cc4ccccc4C(=O)O3)oc12
InChIInChI=1S/C23H23NO5/c1-4-27-18-11-7-9-15-12-19(28-20(15)18)14(2)24-22(26)23(3)13-16-8-5-6-10-17(16)21(25)29-23/h5-12,14H,4,13H2,1-3H3,(H,24,26)
InChIKeyDOHNDIYOHKJVAU-UHFFFAOYSA-N
XLogP4.18
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]cyclohexane-1-carboxamide
CID 119273327
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]adamantane-1-carboxamide
CID 55396253
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
3-methyl-1-oxo-N-pentan-3-yl-4H-isochromene-3-carboxamide
CID 24680936
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-hydroxycyclopentane-1-carboxamide
CID 110015116
2-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-phenylacetamide;hydrochloride
CID 119273318
1-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-(2-methoxyphenyl)urea
CID 39972995
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]piperidine-4-carboxamide
CID 119273307
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-(4-nitrophenyl)acetamide
CID 51214021
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-4-methoxybenzamide
CID 60607084
N-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 97237661

Frequently Asked Questions

What is the IUPAC name of N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide?
The IUPAC name of N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide (CID 55396331) is N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide.
What is the SMILES notation for N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide?
The canonical SMILES for N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide is CCOc1cccc2cc(C(C)NC(=O)C3(C)Cc4ccccc4C(=O)O3)oc12.
What is the InChIKey of N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide?
The InChIKey is DOHNDIYOHKJVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO5/c1-4-27-18-11-7-9-15-12-19(28-20(15)18)14(2)24-22(26)23(3)13-16-8-5-6-10-17(16)21(25)29-23/h5-12,14H,4,13H2,1-3H3,(H,24,26).
What are the key properties of N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide?
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 4.18, 5 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]-3-methyl-1-oxo-4H-isochromene-3-carboxamide is sourced from PubChem (CID 55396331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).