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

C19H21NO5 — CID 39237930

IUPACN-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NC[C@H]2Cc3ccccc3O2)cc(OC)c1OC
InChIInChI=1S/C19H21NO5/c1-22-16-9-13(10-17(23-2)18(16)24-3)19(21)20-11-14-8-12-6-4-5-7-15(12)25-14/h4-7,9-10,14H,8,11H2,1-3H3,(H,20,21)/t14-/m1/s1
InChIKeyKBOTVUJNBUNQAI-CQSZACIVSA-N
MW343.38 g/mol
LogP2.45
Rot. Bonds6

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

N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,4,5-trimethoxybenzamide (PubChem CID 39237930) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,4,5-trimethoxybenzamide
PubChem CID39237930
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC NameN-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NC[C@H]2Cc3ccccc3O2)cc(OC)c1OC
InChIInChI=1S/C19H21NO5/c1-22-16-9-13(10-17(23-2)18(16)24-3)19(21)20-11-14-8-12-6-4-5-7-15(12)25-14/h4-7,9-10,14H,8,11H2,1-3H3,(H,20,21)/t14-/m1/s1
InChIKeyKBOTVUJNBUNQAI-CQSZACIVSA-N
XLogP2.45
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3,4,5-trimethoxybenzamide
CID 46090164
3,5-dibromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
CID 107980334
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-ethoxy-3-methylbenzamide
CID 86938103
3-chloro-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4,5-dimethoxybenzamide
CID 8759633
3-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylbenzamide
CID 104852428
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-hydroxy-4-methylbenzamide
CID 62232665
3,4-dimethoxy-N-[[(2R)-5-phenoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide
CID 92767700
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-(dimethylamino)pyridine-3-carboxamide
CID 37298471
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 47026743
3-(chloromethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
CID 61003695
N-[[(2R)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]naphthalene-2-carboxamide
CID 92760795
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methyl-3-methylsulfonylbenzamide
CID 51083815

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,4,5-trimethoxybenzamide (CID 39237930) is N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)NC[C@H]2Cc3ccccc3O2)cc(OC)c1OC.
What is the InChIKey of N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,4,5-trimethoxybenzamide?
The InChIKey is KBOTVUJNBUNQAI-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21NO5/c1-22-16-9-13(10-17(23-2)18(16)24-3)19(21)20-11-14-8-12-6-4-5-7-15(12)25-14/h4-7,9-10,14H,8,11H2,1-3H3,(H,20,21)/t14-/m1/s1.
What are the key properties of N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,4,5-trimethoxybenzamide?
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,4,5-trimethoxybenzamide has a molecular weight of 343.38 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 39237930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).