3,4-dimethoxy-N-[[(2R)-5-phenoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide

C24H23NO5 — CID 92767700

IUPAC3,4-dimethoxy-N-[[(2R)-5-phenoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)NC[C@H]2Cc3cc(Oc4ccccc4)ccc3O2)cc1OC
InChIInChI=1S/C24H23NO5/c1-27-22-10-8-16(14-23(22)28-2)24(26)25-15-20-13-17-12-19(9-11-21(17)30-20)29-18-6-4-3-5-7-18/h3-12,14,20H,13,15H2,1-2H3,(H,25,26)/t20-/m1/s1
InChIKeyYFIHACJGELMZHC-HXUWFJFHSA-N
MW405.45 g/mol
LogP4.23
Rot. Bonds7

About 3,4-dimethoxy-N-[[(2R)-5-phenoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide

3,4-dimethoxy-N-[[(2R)-5-phenoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide (PubChem CID 92767700) has the molecular formula C24H23NO5 and a molecular weight of 405.45 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[[(2R)-5-phenoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[[(2R)-5-phenoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide
PubChem CID92767700
Molecular FormulaC24H23NO5
Molecular Weight405.45 g/mol
Exact Mass405.16
IUPAC Name3,4-dimethoxy-N-[[(2R)-5-phenoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)NC[C@H]2Cc3cc(Oc4ccccc4)ccc3O2)cc1OC
InChIInChI=1S/C24H23NO5/c1-27-22-10-8-16(14-23(22)28-2)24(26)25-15-20-13-17-12-19(9-11-21(17)30-20)29-18-6-4-3-5-7-18/h3-12,14,20H,13,15H2,1-2H3,(H,25,26)/t20-/m1/s1
InChIKeyYFIHACJGELMZHC-HXUWFJFHSA-N
XLogP4.23
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[(5-phenoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
CID 46082466
N-[[(2R)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]naphthalene-2-carboxamide
CID 92760795
2-methyl-N-[(5-phenoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
CID 46090158
2-phenoxy-N-[[(2R)-5-phenoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
CID 92761558
N-[[(2S)-5-phenoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide
CID 92757118
4-bromo-N-[[(2S)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methylbenzamide
CID 92758303
N-[[(2S)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-phenoxyacetamide
CID 92757032
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3,4-dimethoxybenzamide
CID 845157
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,4,5-trimethoxybenzamide
CID 39237930
(2R)-2-ethyl-N-[[(2S)-5-phenoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]hexanamide
CID 92758001
2-ethyl-N-[(5-phenoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]hexanamide
CID 46090185
2,3,4,5,6-pentafluoro-N-[[(2S)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide
CID 92760110

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[[(2R)-5-phenoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[[(2R)-5-phenoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide (CID 92767700) is 3,4-dimethoxy-N-[[(2R)-5-phenoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[[(2R)-5-phenoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[[(2R)-5-phenoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide is COc1ccc(C(=O)NC[C@H]2Cc3cc(Oc4ccccc4)ccc3O2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[[(2R)-5-phenoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide?
The InChIKey is YFIHACJGELMZHC-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H23NO5/c1-27-22-10-8-16(14-23(22)28-2)24(26)25-15-20-13-17-12-19(9-11-21(17)30-20)29-18-6-4-3-5-7-18/h3-12,14,20H,13,15H2,1-2H3,(H,25,26)/t20-/m1/s1.
What are the key properties of 3,4-dimethoxy-N-[[(2R)-5-phenoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide?
3,4-dimethoxy-N-[[(2R)-5-phenoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide has a molecular weight of 405.45 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[[(2R)-5-phenoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide is sourced from PubChem (CID 92767700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).