N-(2-amino-2-oxo-1-phenylethyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide

C19H18N2O4 — CID 47017553

IUPACN-(2-amino-2-oxo-1-phenylethyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)NC(C(N)=O)c3ccccc3)c(C)c2c1
InChIInChI=1S/C19H18N2O4/c1-11-14-10-13(24-2)8-9-15(14)25-17(11)19(23)21-16(18(20)22)12-6-4-3-5-7-12/h3-10,16H,1-2H3,(H2,20,22)(H,21,23)
InChIKeyQVEXKPCPYUFHJS-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.71
Rot. Bonds5

About N-(2-amino-2-oxo-1-phenylethyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide

N-(2-amino-2-oxo-1-phenylethyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 47017553) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is N-(2-amino-2-oxo-1-phenylethyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxo-1-phenylethyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
PubChem CID47017553
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC NameN-(2-amino-2-oxo-1-phenylethyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)NC(C(N)=O)c3ccccc3)c(C)c2c1
InChIInChI=1S/C19H18N2O4/c1-11-14-10-13(24-2)8-9-15(14)25-17(11)19(23)21-16(18(20)22)12-6-4-3-5-7-12/h3-10,16H,1-2H3,(H2,20,22)(H,21,23)
InChIKeyQVEXKPCPYUFHJS-UHFFFAOYSA-N
XLogP2.71
TPSA94.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-methoxy-2-methyl-1-benzofuran-3-carboxamide
CID 94029246
(2-amino-2-oxo-1-phenylethyl) 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 47017295
diethyl 2-[(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)amino]propanedioate
CID 55466367
N'-benzoyl-5-methoxy-3-methyl-1-benzofuran-2-carbohydrazide
CID 51155700
N-[(1R)-1-(3-chlorophenyl)ethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 8700752
5-methoxy-3-methyl-N-[1-(3-sulfamoylphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 51213515
5-methoxy-3-methyl-N'-phenyl-1-benzofuran-2-carbohydrazide
CID 78774610
N-[(1R)-1-(furan-2-yl)ethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 8856762
5-methoxy-3-methyl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-1-benzofuran-2-carboxamide
CID 55964822
N-(2-amino-2-oxo-1-phenylethyl)-4-methoxybenzamide
CID 51315270
N-(3,5-dimethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 7959819
5-methoxy-3-methyl-N-(3-phenylprop-2-ynyl)-1-benzofuran-2-carboxamide
CID 51332390

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxo-1-phenylethyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-amino-2-oxo-1-phenylethyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide (CID 47017553) is N-(2-amino-2-oxo-1-phenylethyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxo-1-phenylethyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-amino-2-oxo-1-phenylethyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide is COc1ccc2oc(C(=O)NC(C(N)=O)c3ccccc3)c(C)c2c1.
What is the InChIKey of N-(2-amino-2-oxo-1-phenylethyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is QVEXKPCPYUFHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-11-14-10-13(24-2)8-9-15(14)25-17(11)19(23)21-16(18(20)22)12-6-4-3-5-7-12/h3-10,16H,1-2H3,(H2,20,22)(H,21,23).
What are the key properties of N-(2-amino-2-oxo-1-phenylethyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
N-(2-amino-2-oxo-1-phenylethyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 338.36 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxo-1-phenylethyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 47017553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).