N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,3-dihydro-1-benzofuran-5-carboxamide

C23H28N2O5 — CID 39110513

IUPACN-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCOc1ccc([C@@H](CNC(=O)c2ccc3c(c2)CCO3)N2CCOCC2)cc1OC
InChIInChI=1S/C23H28N2O5/c1-27-21-6-3-16(14-22(21)28-2)19(25-8-11-29-12-9-25)15-24-23(26)18-4-5-20-17(13-18)7-10-30-20/h3-6,13-14,19H,7-12,15H2,1-2H3,(H,24,26)/t19-/m1/s1
InChIKeyGDKMMJGSBLIQLT-LJQANCHMSA-N
MW412.49 g/mol
LogP2.44
Rot. Bonds7

About N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,3-dihydro-1-benzofuran-5-carboxamide

N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 39110513) has the molecular formula C23H28N2O5 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID39110513
Molecular FormulaC23H28N2O5
Molecular Weight412.49 g/mol
Exact Mass412.20
IUPAC NameN-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCOc1ccc([C@@H](CNC(=O)c2ccc3c(c2)CCO3)N2CCOCC2)cc1OC
InChIInChI=1S/C23H28N2O5/c1-27-21-6-3-16(14-22(21)28-2)19(25-8-11-29-12-9-25)15-24-23(26)18-4-5-20-17(13-18)7-10-30-20/h3-6,13-14,19H,7-12,15H2,1-2H3,(H,24,26)/t19-/m1/s1
InChIKeyGDKMMJGSBLIQLT-LJQANCHMSA-N
XLogP2.44
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,3-dihydro-1-benzofuran-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-methylbenzamide
CID 25484973
1-acetyl-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,3-dihydroindole-5-carboxamide
CID 24647042
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 24646979
3-amino-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]benzamide
CID 119830154
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 55388124
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-ethoxy-4-propoxybenzamide
CID 29359882
2-chloro-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]pyridine-4-carboxamide
CID 46525244
N-[2-[[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 24646997
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethylsulfanyl)benzamide
CID 43019513
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-3,4-dimethoxybenzamide
CID 90557940
N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ylethyl]-3,4-dimethoxybenzamide
CID 42457132
N-[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ylethyl]-4-ethylbenzamide
CID 8893146

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,3-dihydro-1-benzofuran-5-carboxamide (CID 39110513) is N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,3-dihydro-1-benzofuran-5-carboxamide is COc1ccc([C@@H](CNC(=O)c2ccc3c(c2)CCO3)N2CCOCC2)cc1OC.
What is the InChIKey of N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is GDKMMJGSBLIQLT-LJQANCHMSA-N. The full InChI is InChI=1S/C23H28N2O5/c1-27-21-6-3-16(14-22(21)28-2)19(25-8-11-29-12-9-25)15-24-23(26)18-4-5-20-17(13-18)7-10-30-20/h3-6,13-14,19H,7-12,15H2,1-2H3,(H,24,26)/t19-/m1/s1.
What are the key properties of N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 39110513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).