N-cyclopentyl-4-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethoxy]benzamide

C22H23NO4 — CID 60608783

IUPACN-cyclopentyl-4-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethoxy]benzamide
SMILESO=C(COc1ccc(C(=O)NC2CCCC2)cc1)c1ccc2c(c1)CCO2
InChIInChI=1S/C22H23NO4/c24-20(16-7-10-21-17(13-16)11-12-26-21)14-27-19-8-5-15(6-9-19)22(25)23-18-3-1-2-4-18/h5-10,13,18H,1-4,11-12,14H2,(H,23,25)
InChIKeyCEMIZDUHOAPVPH-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.56
Rot. Bonds6

About N-cyclopentyl-4-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethoxy]benzamide

N-cyclopentyl-4-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethoxy]benzamide (PubChem CID 60608783) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-cyclopentyl-4-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethoxy]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethoxy]benzamide
PubChem CID60608783
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC NameN-cyclopentyl-4-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethoxy]benzamide
SMILESO=C(COc1ccc(C(=O)NC2CCCC2)cc1)c1ccc2c(c1)CCO2
InChIInChI=1S/C22H23NO4/c24-20(16-7-10-21-17(13-16)11-12-26-21)14-27-19-8-5-15(6-9-19)22(25)23-18-3-1-2-4-18/h5-10,13,18H,1-4,11-12,14H2,(H,23,25)
InChIKeyCEMIZDUHOAPVPH-UHFFFAOYSA-N
XLogP3.56
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 71942700
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-nitrophenoxy)ethanone
CID 33494891
N-(4-chlorocyclohexyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 114296800
N-[3-(trifluoromethyl)cyclohexyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 86925196
methyl 3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopropanoate
CID 70925454
N-(3-aminocyclopentyl)-3,4-dihydro-2H-chromene-6-carboxamide
CID 115272843
N-(2-bromocyclohexyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 114311850
(E)-N-cyclobutyl-4-(2,3-dihydro-1-benzofuran-5-yl)-4-oxobut-2-enamide
CID 171527682
N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-6-carboxamide
CID 118788009
N-cyclopentyl-2-(3,4-dihydro-2H-chromen-6-yl)acetamide
CID 110771100
N-(2-cyclopentyl-2-hydroxyethyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 111426308
N-[2-(aminomethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 62955860

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethoxy]benzamide?
The IUPAC name of N-cyclopentyl-4-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethoxy]benzamide (CID 60608783) is N-cyclopentyl-4-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethoxy]benzamide.
What is the SMILES notation for N-cyclopentyl-4-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethoxy]benzamide?
The canonical SMILES for N-cyclopentyl-4-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethoxy]benzamide is O=C(COc1ccc(C(=O)NC2CCCC2)cc1)c1ccc2c(c1)CCO2.
What is the InChIKey of N-cyclopentyl-4-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethoxy]benzamide?
The InChIKey is CEMIZDUHOAPVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c24-20(16-7-10-21-17(13-16)11-12-26-21)14-27-19-8-5-15(6-9-19)22(25)23-18-3-1-2-4-18/h5-10,13,18H,1-4,11-12,14H2,(H,23,25).
What are the key properties of N-cyclopentyl-4-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethoxy]benzamide?
N-cyclopentyl-4-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethoxy]benzamide has a molecular weight of 365.43 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethoxy]benzamide is sourced from PubChem (CID 60608783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).