N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methoxy-N-methyl-1H-indole-2-carboxamide

C20H20N2O3 — CID 90652025

IUPACN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methoxy-N-methyl-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)N(C)CC3Cc4ccccc4O3)cc2c1
InChIInChI=1S/C20H20N2O3/c1-22(12-16-9-13-5-3-4-6-19(13)25-16)20(23)18-11-14-10-15(24-2)7-8-17(14)21-18/h3-8,10-11,16,21H,9,12H2,1-2H3
InChIKeyMDEITRKPXMKRFN-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.25
Rot. Bonds4

About N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methoxy-N-methyl-1H-indole-2-carboxamide

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methoxy-N-methyl-1H-indole-2-carboxamide (PubChem CID 90652025) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methoxy-N-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methoxy-N-methyl-1H-indole-2-carboxamide
PubChem CID90652025
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methoxy-N-methyl-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)N(C)CC3Cc4ccccc4O3)cc2c1
InChIInChI=1S/C20H20N2O3/c1-22(12-16-9-13-5-3-4-6-19(13)25-16)20(23)18-11-14-10-15(24-2)7-8-17(14)21-18/h3-8,10-11,16,21H,9,12H2,1-2H3
InChIKeyMDEITRKPXMKRFN-UHFFFAOYSA-N
XLogP3.25
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,5-dimethoxy-N-methyl-1H-indole-2-carboxamide
CID 23003326
3-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 35674467
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-2-(3-methylphenyl)acetamide
CID 29023368
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-ethyl-N-methylpyrimidine-5-carboxamide
CID 95137985
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-[(2-methoxyphenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide
CID 26401704
3-amino-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N-methyl-4-phenyl-1H-pyrazole-5-carboxamide
CID 99947024
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,1,2,5-tetramethylpyrrole-3-carboxamide
CID 135095648
N-[(3-methoxyphenyl)methyl]-N-methyl-1H-indole-2-carboxamide
CID 29217686
N-carbamimidoyl-5-methoxy-N-methyl-1H-indole-2-carboxamide;hydrochloride
CID 70216272
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-3-(2,5-dimethoxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide
CID 90635579
methyl 3-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]propanoate
CID 66364601
2-methoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-methylbenzamide
CID 1427730

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methoxy-N-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methoxy-N-methyl-1H-indole-2-carboxamide (CID 90652025) is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methoxy-N-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methoxy-N-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methoxy-N-methyl-1H-indole-2-carboxamide is COc1ccc2[nH]c(C(=O)N(C)CC3Cc4ccccc4O3)cc2c1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methoxy-N-methyl-1H-indole-2-carboxamide?
The InChIKey is MDEITRKPXMKRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-22(12-16-9-13-5-3-4-6-19(13)25-16)20(23)18-11-14-10-15(24-2)7-8-17(14)21-18/h3-8,10-11,16,21H,9,12H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methoxy-N-methyl-1H-indole-2-carboxamide?
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methoxy-N-methyl-1H-indole-2-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methoxy-N-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 90652025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).