(2R,3S)-5-N-(2-methoxyethyl)-7-N,2-dimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide

C21H24N2O4 — CID 131987129

IUPAC(2R,3S)-5-N-(2-methoxyethyl)-7-N,2-dimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NCCOC)cc2c1O[C@H](C)[C@H]2c1ccccc1
InChIInChI=1S/C21H24N2O4/c1-13-18(14-7-5-4-6-8-14)16-11-15(20(24)23-9-10-26-3)12-17(19(16)27-13)21(25)22-2/h4-8,11-13,18H,9-10H2,1-3H3,(H,22,25)(H,23,24)/t13-,18+/m1/s1
InChIKeyGZJPFVGFRGYSAO-ACJLOTCBSA-N
MW368.43 g/mol
LogP2.34
Rot. Bonds6

About (2R,3S)-5-N-(2-methoxyethyl)-7-N,2-dimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide

(2R,3S)-5-N-(2-methoxyethyl)-7-N,2-dimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide (PubChem CID 131987129) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is (2R,3S)-5-N-(2-methoxyethyl)-7-N,2-dimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide.

Molecular Properties

Compound Name(2R,3S)-5-N-(2-methoxyethyl)-7-N,2-dimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
PubChem CID131987129
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name(2R,3S)-5-N-(2-methoxyethyl)-7-N,2-dimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NCCOC)cc2c1O[C@H](C)[C@H]2c1ccccc1
InChIInChI=1S/C21H24N2O4/c1-13-18(14-7-5-4-6-8-14)16-11-15(20(24)23-9-10-26-3)12-17(19(16)27-13)21(25)22-2/h4-8,11-13,18H,9-10H2,1-3H3,(H,22,25)(H,23,24)/t13-,18+/m1/s1
InChIKeyGZJPFVGFRGYSAO-ACJLOTCBSA-N
XLogP2.34
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-5-N-(2-methoxyethyl)-7-N,2-dimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide?
The IUPAC name of (2R,3S)-5-N-(2-methoxyethyl)-7-N,2-dimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide (CID 131987129) is (2R,3S)-5-N-(2-methoxyethyl)-7-N,2-dimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide.
What is the SMILES notation for (2R,3S)-5-N-(2-methoxyethyl)-7-N,2-dimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide?
The canonical SMILES for (2R,3S)-5-N-(2-methoxyethyl)-7-N,2-dimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide is CNC(=O)c1cc(C(=O)NCCOC)cc2c1O[C@H](C)[C@H]2c1ccccc1.
What is the InChIKey of (2R,3S)-5-N-(2-methoxyethyl)-7-N,2-dimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide?
The InChIKey is GZJPFVGFRGYSAO-ACJLOTCBSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-13-18(14-7-5-4-6-8-14)16-11-15(20(24)23-9-10-26-3)12-17(19(16)27-13)21(25)22-2/h4-8,11-13,18H,9-10H2,1-3H3,(H,22,25)(H,23,24)/t13-,18+/m1/s1.
What are the key properties of (2R,3S)-5-N-(2-methoxyethyl)-7-N,2-dimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide?
(2R,3S)-5-N-(2-methoxyethyl)-7-N,2-dimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide has a molecular weight of 368.43 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-5-N-(2-methoxyethyl)-7-N,2-dimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide is sourced from PubChem (CID 131987129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).