N-cycloheptyl-3-(methoxymethyl)-1-benzofuran-2-carboxamide

C18H23NO3 — CID 2536679

IUPACN-cycloheptyl-3-(methoxymethyl)-1-benzofuran-2-carboxamide
SMILESCOCc1c(C(=O)NC2CCCCCC2)oc2ccccc12
InChIInChI=1S/C18H23NO3/c1-21-12-15-14-10-6-7-11-16(14)22-17(15)18(20)19-13-8-4-2-3-5-9-13/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H,19,20)
InChIKeyMTKAQMFMOAAIRQ-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.03
Rot. Bonds4

About N-cycloheptyl-3-(methoxymethyl)-1-benzofuran-2-carboxamide

N-cycloheptyl-3-(methoxymethyl)-1-benzofuran-2-carboxamide (PubChem CID 2536679) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-cycloheptyl-3-(methoxymethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-3-(methoxymethyl)-1-benzofuran-2-carboxamide
PubChem CID2536679
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC NameN-cycloheptyl-3-(methoxymethyl)-1-benzofuran-2-carboxamide
SMILESCOCc1c(C(=O)NC2CCCCCC2)oc2ccccc12
InChIInChI=1S/C18H23NO3/c1-21-12-15-14-10-6-7-11-16(14)22-17(15)18(20)19-13-8-4-2-3-5-9-13/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H,19,20)
InChIKeyMTKAQMFMOAAIRQ-UHFFFAOYSA-N
XLogP4.03
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 11749858
CL82198
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2-Benzofurancarboxamide, N-methyl-
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CID 768761
N-(1-phenylethyl)-1-benzofuran-2-carboxamide
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1-(1-Benzofuran-2-ylcarbonyl)-4-methylpiperidine
CID 977492
N-(1-azabicyclo[2.2.2]octan-3-yl)-7-(2-propoxyphenyl)-1-benzofuran-2-carboxamide
CID 162763894
N-(1-azabicyclo[2.2.2]octan-3-yl)-7-(2-butoxyphenyl)-1-benzofuran-2-carboxamide
CID 168269389
5-(2-methylpropyl)-N-(2-phenoxyethyl)furan-2-carboxamide
CID 5295624
2-Benzofuranyl-4-morpholinylmethanone
CID 3819793
1-[(7-Fluoro-3-methyl-1-benzofuran-2-yl)carbonyl]-3-(methoxymethyl)pyrrolidine
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1-((3-Methyl-1-benzofuran-2-YL)carbonyl)piperidine
CID 768762

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-(methoxymethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-cycloheptyl-3-(methoxymethyl)-1-benzofuran-2-carboxamide (CID 2536679) is N-cycloheptyl-3-(methoxymethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-cycloheptyl-3-(methoxymethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-cycloheptyl-3-(methoxymethyl)-1-benzofuran-2-carboxamide is COCc1c(C(=O)NC2CCCCCC2)oc2ccccc12.
What is the InChIKey of N-cycloheptyl-3-(methoxymethyl)-1-benzofuran-2-carboxamide?
The InChIKey is MTKAQMFMOAAIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-21-12-15-14-10-6-7-11-16(14)22-17(15)18(20)19-13-8-4-2-3-5-9-13/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H,19,20).
What are the key properties of N-cycloheptyl-3-(methoxymethyl)-1-benzofuran-2-carboxamide?
N-cycloheptyl-3-(methoxymethyl)-1-benzofuran-2-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-(methoxymethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2536679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).