N-benzyl-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide

C17H17NO3 — CID 3244379

IUPACN-benzyl-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCc2ccccc2)oc2c1C(=O)CCC2
InChIInChI=1S/C17H17NO3/c1-11-15-13(19)8-5-9-14(15)21-16(11)17(20)18-10-12-6-3-2-4-7-12/h2-4,6-7H,5,8-10H2,1H3,(H,18,20)
InChIKeyNWVZRHHQKAGNPN-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.04
Rot. Bonds3

About N-benzyl-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide

N-benzyl-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide (PubChem CID 3244379) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-benzyl-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide
PubChem CID3244379
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC NameN-benzyl-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCc2ccccc2)oc2c1C(=O)CCC2
InChIInChI=1S/C17H17NO3/c1-11-15-13(19)8-5-9-14(15)21-16(11)17(20)18-10-12-6-3-2-4-7-12/h2-4,6-7H,5,8-10H2,1H3,(H,18,20)
InChIKeyNWVZRHHQKAGNPN-UHFFFAOYSA-N
XLogP3.04
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CL82198
CID 2777
2-Benzofurancarboxamide, N-methyl-
CID 660372
4-((3-Methyl-1-benzofuran-2-YL)carbonyl)morpholine
CID 768761
N-(1-phenylethyl)-1-benzofuran-2-carboxamide
CID 2788390
1-(1-Benzofuran-2-ylcarbonyl)-4-methylpiperidine
CID 977492
Furan-2-carboxamide deriv., 17
CID 44236903
2N-methyl-4N-(4-oxidanylcyclohexyl)-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide
CID 146434124
5-(2-methylpropyl)-N-(2-phenoxyethyl)furan-2-carboxamide
CID 5295624
1-((3-Methyl-1-benzofuran-2-YL)carbonyl)piperidine
CID 768762
STAT3 inhibitor 8q
CID 137321152
N-cyclopropyl-1-benzofuran-2-carboxamide
CID 894902
N-(2-fluorobenzyl)-3-methyl-1-benzofuran-2-carboxamide
CID 1244301

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide?
The IUPAC name of N-benzyl-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide (CID 3244379) is N-benzyl-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-benzyl-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide?
The canonical SMILES for N-benzyl-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide is Cc1c(C(=O)NCc2ccccc2)oc2c1C(=O)CCC2.
What is the InChIKey of N-benzyl-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide?
The InChIKey is NWVZRHHQKAGNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-11-15-13(19)8-5-9-14(15)21-16(11)17(20)18-10-12-6-3-2-4-7-12/h2-4,6-7H,5,8-10H2,1H3,(H,18,20).
What are the key properties of N-benzyl-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide?
N-benzyl-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide is sourced from PubChem (CID 3244379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).