N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide

C26H30N2O5 — CID 41113364

IUPACN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
SMILESCCOc1cc(C(=O)N[C@@H](C)c2cc3ccccc3o2)ccc1OCC(=O)N1CCCCC1
InChIInChI=1S/C26H30N2O5/c1-3-31-24-16-20(11-12-22(24)32-17-25(29)28-13-7-4-8-14-28)26(30)27-18(2)23-15-19-9-5-6-10-21(19)33-23/h5-6,9-12,15-16,18H,3-4,7-8,13-14,17H2,1-2H3,(H,27,30)/t18-/m0/s1
InChIKeyQHDSTRVWNIXAJB-SFHVURJKSA-N
MW450.54 g/mol
LogP4.71
Rot. Bonds8

About N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide

N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide (PubChem CID 41113364) has the molecular formula C26H30N2O5 and a molecular weight of 450.54 g/mol. Its IUPAC name is N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
PubChem CID41113364
Molecular FormulaC26H30N2O5
Molecular Weight450.54 g/mol
Exact Mass450.22
IUPAC NameN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
SMILESCCOc1cc(C(=O)N[C@@H](C)c2cc3ccccc3o2)ccc1OCC(=O)N1CCCCC1
InChIInChI=1S/C26H30N2O5/c1-3-31-24-16-20(11-12-22(24)32-17-25(29)28-13-7-4-8-14-28)26(30)27-18(2)23-15-19-9-5-6-10-21(19)33-23/h5-6,9-12,15-16,18H,3-4,7-8,13-14,17H2,1-2H3,(H,27,30)/t18-/m0/s1
InChIKeyQHDSTRVWNIXAJB-SFHVURJKSA-N
XLogP4.71
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2,6-di(propan-2-yl)phenyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 26102370
3-ethoxy-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 55653874
3-ethoxy-N-(2-hydroxy-2-phenylethyl)-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 55457672
[1-oxo-1-(1-phenylethylamino)propan-2-yl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate
CID 42975908
2-[4-(azocane-1-carbonyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
CID 112793126
3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 37018852
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
CID 41253948
4-chloro-3-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylamino]-N-propan-2-ylbenzamide
CID 167805072
3-ethoxy-N-[[3-(ethylcarbamoyl)phenyl]methyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 55724935
3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide
CID 46570210
N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 46823944
2-[2-ethoxy-4-[(1-phenylethylamino)methyl]phenoxy]-1-piperidin-1-ylethanone
CID 119163603

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide?
The IUPAC name of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide (CID 41113364) is N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide.
What is the SMILES notation for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide?
The canonical SMILES for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide is CCOc1cc(C(=O)N[C@@H](C)c2cc3ccccc3o2)ccc1OCC(=O)N1CCCCC1.
What is the InChIKey of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide?
The InChIKey is QHDSTRVWNIXAJB-SFHVURJKSA-N. The full InChI is InChI=1S/C26H30N2O5/c1-3-31-24-16-20(11-12-22(24)32-17-25(29)28-13-7-4-8-14-28)26(30)27-18(2)23-15-19-9-5-6-10-21(19)33-23/h5-6,9-12,15-16,18H,3-4,7-8,13-14,17H2,1-2H3,(H,27,30)/t18-/m0/s1.
What are the key properties of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide?
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide has a molecular weight of 450.54 g/mol, XLogP of 4.71, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide is sourced from PubChem (CID 41113364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).