N-[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-2-oxoethyl]benzamide

C21H24N2O4 — CID 9398128

IUPACN-[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-2-oxoethyl]benzamide
SMILESCCOc1cc2c(cc1CNC(=O)CNC(=O)c1ccccc1)O[C@@H](C)C2
InChIInChI=1S/C21H24N2O4/c1-3-26-18-10-16-9-14(2)27-19(16)11-17(18)12-22-20(24)13-23-21(25)15-7-5-4-6-8-15/h4-8,10-11,14H,3,9,12-13H2,1-2H3,(H,22,24)(H,23,25)/t14-/m0/s1
InChIKeyWAHMIDFUONLIQS-AWEZNQCLSA-N
MW368.43 g/mol
LogP2.45
Rot. Bonds7

About N-[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-2-oxoethyl]benzamide

N-[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-2-oxoethyl]benzamide (PubChem CID 9398128) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is N-[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-2-oxoethyl]benzamide
PubChem CID9398128
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC NameN-[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-2-oxoethyl]benzamide
SMILESCCOc1cc2c(cc1CNC(=O)CNC(=O)c1ccccc1)O[C@@H](C)C2
InChIInChI=1S/C21H24N2O4/c1-3-26-18-10-16-9-14(2)27-19(16)11-17(18)12-22-20(24)13-23-21(25)15-7-5-4-6-8-15/h4-8,10-11,14H,3,9,12-13H2,1-2H3,(H,22,24)(H,23,25)/t14-/m0/s1
InChIKeyWAHMIDFUONLIQS-AWEZNQCLSA-N
XLogP2.45
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N-[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-2-oxoethyl]benzamide
CID 9398889
N-[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 9399027
3-(difluoromethoxy)-N-[2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2-oxoethyl]benzamide
CID 24550214
N-[2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2-oxoethyl]furan-2-carboxamide
CID 24550219
N-[2-[[2-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 9401183
N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-3-methylbenzamide
CID 7670514
N-[(2S)-1-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 31736213
N-[(2S,3S)-1-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 9399232
N-[(2S,3S)-1-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 24550167
N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1H-indazole-3-carboxamide
CID 9268869
N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1H-indazole-3-carboxamide
CID 9268865
2-(4-bromophenyl)-N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]acetamide
CID 9398495

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-2-oxoethyl]benzamide (CID 9398128) is N-[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-2-oxoethyl]benzamide is CCOc1cc2c(cc1CNC(=O)CNC(=O)c1ccccc1)O[C@@H](C)C2.
What is the InChIKey of N-[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-2-oxoethyl]benzamide?
The InChIKey is WAHMIDFUONLIQS-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-3-26-18-10-16-9-14(2)27-19(16)11-17(18)12-22-20(24)13-23-21(25)15-7-5-4-6-8-15/h4-8,10-11,14H,3,9,12-13H2,1-2H3,(H,22,24)(H,23,25)/t14-/m0/s1.
What are the key properties of N-[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-2-oxoethyl]benzamide?
N-[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-2-oxoethyl]benzamide has a molecular weight of 368.43 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 9398128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).