N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide

C20H21NO4 — CID 97115918

IUPACN-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide
SMILESCc1oc2c(c1C(=O)NC[C@@H]1COc3ccccc3C1)C(=O)CCC2
InChIInChI=1S/C20H21NO4/c1-12-18(19-15(22)6-4-8-17(19)25-12)20(23)21-10-13-9-14-5-2-3-7-16(14)24-11-13/h2-3,5,7,13H,4,6,8-11H2,1H3,(H,21,23)/t13-/m1/s1
InChIKeyRXHSNXRDDWRSJE-CYBMUJFWSA-N
MW339.39 g/mol
LogP3.09
Rot. Bonds3

About N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide

N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide (PubChem CID 97115918) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide
PubChem CID97115918
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC NameN-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide
SMILESCc1oc2c(c1C(=O)NC[C@@H]1COc3ccccc3C1)C(=O)CCC2
InChIInChI=1S/C20H21NO4/c1-12-18(19-15(22)6-4-8-17(19)25-12)20(23)21-10-13-9-14-5-2-3-7-16(14)24-11-13/h2-3,5,7,13H,4,6,8-11H2,1H3,(H,21,23)/t13-/m1/s1
InChIKeyRXHSNXRDDWRSJE-CYBMUJFWSA-N
XLogP3.09
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-methylbenzamide
CID 51211932
N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-1,4,6-trimethyl-2-oxopyridine-3-carboxamide
CID 97129298
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-methyl-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride
CID 171709461
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-methylfuran-2-carboxamide
CID 51241210
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
CID 102556261
1-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-ethylurea
CID 47117479
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine-2-carboxamide
CID 99779688
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(trifluoromethyl)benzamide
CID 40918040
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 35422359
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-5-ethyl-1H-pyrazole-3-carboxamide
CID 102556008
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-naphthalen-2-ylacetamide
CID 51212134
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-6-oxo-1H-pyrazine-3-carboxamide
CID 97284274

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide?
The IUPAC name of N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide (CID 97115918) is N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide?
The canonical SMILES for N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide is Cc1oc2c(c1C(=O)NC[C@@H]1COc3ccccc3C1)C(=O)CCC2.
What is the InChIKey of N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide?
The InChIKey is RXHSNXRDDWRSJE-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H21NO4/c1-12-18(19-15(22)6-4-8-17(19)25-12)20(23)21-10-13-9-14-5-2-3-7-16(14)24-11-13/h2-3,5,7,13H,4,6,8-11H2,1H3,(H,21,23)/t13-/m1/s1.
What are the key properties of N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide?
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide has a molecular weight of 339.39 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide is sourced from PubChem (CID 97115918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).