7-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide

C20H19NO3 — CID 38016871

IUPAC7-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)N[C@H]3CCCc4ccccc43)oc12
InChIInChI=1S/C20H19NO3/c1-23-17-11-5-8-14-12-18(24-19(14)17)20(22)21-16-10-4-7-13-6-2-3-9-15(13)16/h2-3,5-6,8-9,11-12,16H,4,7,10H2,1H3,(H,21,22)/t16-/m0/s1
InChIKeyWVEBTLJQEIFIHD-INIZCTEOSA-N
MW321.38 g/mol
LogP4.25
Rot. Bonds3

About 7-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide

7-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide (PubChem CID 38016871) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 7-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide
PubChem CID38016871
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name7-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)N[C@H]3CCCc4ccccc43)oc12
InChIInChI=1S/C20H19NO3/c1-23-17-11-5-8-14-12-18(24-19(14)17)20(22)21-16-10-4-7-13-6-2-3-9-15(13)16/h2-3,5-6,8-9,11-12,16H,4,7,10H2,1H3,(H,21,22)/t16-/m0/s1
InChIKeyWVEBTLJQEIFIHD-INIZCTEOSA-N
XLogP4.25
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-ethoxy-N-[6-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide
CID 58055587
7-methoxy-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide
CID 78867681
3-fluoro-4-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 32745617
3,5-dimethoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 837268
7-methoxy-N-methyl-1-benzofuran-2-carboxamide
CID 53281820
2-methoxy-4-methylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 3377458
3-chloro-4,5-dimethoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2671208
5-methoxy-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 8777520
(2S)-2-(2-methoxyphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 99132182
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]naphthalene-2-carboxamide
CID 7688440
2-methoxy-N-[3-oxo-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]benzamide
CID 41135260
1-[2-(2-methoxyphenyl)ethyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 46486313

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide (CID 38016871) is 7-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide is COc1cccc2cc(C(=O)N[C@H]3CCCc4ccccc43)oc12.
What is the InChIKey of 7-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide?
The InChIKey is WVEBTLJQEIFIHD-INIZCTEOSA-N. The full InChI is InChI=1S/C20H19NO3/c1-23-17-11-5-8-14-12-18(24-19(14)17)20(22)21-16-10-4-7-13-6-2-3-9-15(13)16/h2-3,5-6,8-9,11-12,16H,4,7,10H2,1H3,(H,21,22)/t16-/m0/s1.
What are the key properties of 7-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide?
7-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 38016871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).