N-(3-cyclohexyloxypropyl)-3-(ethoxymethyl)-1-benzofuran-2-carboxamide

C21H29NO4 — CID 8962542

IUPACN-(3-cyclohexyloxypropyl)-3-(ethoxymethyl)-1-benzofuran-2-carboxamide
SMILESCCOCc1c(C(=O)NCCCOC2CCCCC2)oc2ccccc12
InChIInChI=1S/C21H29NO4/c1-2-24-15-18-17-11-6-7-12-19(17)26-20(18)21(23)22-13-8-14-25-16-9-4-3-5-10-16/h6-7,11-12,16H,2-5,8-10,13-15H2,1H3,(H,22,23)
InChIKeyXVKLQVUQURROJW-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.44
Rot. Bonds9

About N-(3-cyclohexyloxypropyl)-3-(ethoxymethyl)-1-benzofuran-2-carboxamide

N-(3-cyclohexyloxypropyl)-3-(ethoxymethyl)-1-benzofuran-2-carboxamide (PubChem CID 8962542) has the molecular formula C21H29NO4 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-(3-cyclohexyloxypropyl)-3-(ethoxymethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyclohexyloxypropyl)-3-(ethoxymethyl)-1-benzofuran-2-carboxamide
PubChem CID8962542
Molecular FormulaC21H29NO4
Molecular Weight359.47 g/mol
Exact Mass359.21
IUPAC NameN-(3-cyclohexyloxypropyl)-3-(ethoxymethyl)-1-benzofuran-2-carboxamide
SMILESCCOCc1c(C(=O)NCCCOC2CCCCC2)oc2ccccc12
InChIInChI=1S/C21H29NO4/c1-2-24-15-18-17-11-6-7-12-19(17)26-20(18)21(23)22-13-8-14-25-16-9-4-3-5-10-16/h6-7,11-12,16H,2-5,8-10,13-15H2,1H3,(H,22,23)
InChIKeyXVKLQVUQURROJW-UHFFFAOYSA-N
XLogP4.44
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(ethoxymethyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 8533027
N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(ethoxymethyl)-1-benzofuran-2-carboxamide
CID 8948223
(4-methoxycarbonylphenyl)methyl 3-(ethoxymethyl)-1-benzofuran-2-carboxylate
CID 2660302
N-[2-(2-carbamoylphenoxy)ethyl]-3-(3-hydroxypropoxymethyl)-1-benzofuran-2-carboxamide
CID 91317388
N-[3-(methylamino)propyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 119430694
N-(3-cyclohexyloxypropyl)-2-ethoxyacetamide
CID 60668714
[2-(2-acetylhydrazinyl)-2-oxoethyl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate
CID 7960844
N-(3-cyclohexyloxypropyl)-2-fluoro-3-methylbenzamide
CID 80710683
N-(3-cyclohexyloxypropyl)-2-propan-2-ylsulfonylbenzamide
CID 39950494
3-(ethoxymethyl)-N-(2-methoxydibenzofuran-3-yl)-1-benzofuran-2-carboxamide
CID 9098193
N-[[2-(cyclohexyloxymethyl)-1-benzofuran-3-yl]methyl]ethanamine
CID 62446327
6-chloro-N-(3-cyclohexyloxypropyl)pyridine-2-carboxamide
CID 62233137

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyloxypropyl)-3-(ethoxymethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(3-cyclohexyloxypropyl)-3-(ethoxymethyl)-1-benzofuran-2-carboxamide (CID 8962542) is N-(3-cyclohexyloxypropyl)-3-(ethoxymethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(3-cyclohexyloxypropyl)-3-(ethoxymethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(3-cyclohexyloxypropyl)-3-(ethoxymethyl)-1-benzofuran-2-carboxamide is CCOCc1c(C(=O)NCCCOC2CCCCC2)oc2ccccc12.
What is the InChIKey of N-(3-cyclohexyloxypropyl)-3-(ethoxymethyl)-1-benzofuran-2-carboxamide?
The InChIKey is XVKLQVUQURROJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO4/c1-2-24-15-18-17-11-6-7-12-19(17)26-20(18)21(23)22-13-8-14-25-16-9-4-3-5-10-16/h6-7,11-12,16H,2-5,8-10,13-15H2,1H3,(H,22,23).
What are the key properties of N-(3-cyclohexyloxypropyl)-3-(ethoxymethyl)-1-benzofuran-2-carboxamide?
N-(3-cyclohexyloxypropyl)-3-(ethoxymethyl)-1-benzofuran-2-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 4.44, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyloxypropyl)-3-(ethoxymethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 8962542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).