N-(2-methoxyethyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-benzofuran-5-carboxamide

C18H21N3O3 — CID 72886642

IUPACN-(2-methoxyethyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-benzofuran-5-carboxamide
SMILESCOCCN(Cc1cnn(C)c1)C(=O)c1ccc2oc(C)cc2c1
InChIInChI=1S/C18H21N3O3/c1-13-8-16-9-15(4-5-17(16)24-13)18(22)21(6-7-23-3)12-14-10-19-20(2)11-14/h4-5,8-11H,6-7,12H2,1-3H3
InChIKeyDLVXWZPJXKENIW-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.76
Rot. Bonds6

About N-(2-methoxyethyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-benzofuran-5-carboxamide

N-(2-methoxyethyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-benzofuran-5-carboxamide (PubChem CID 72886642) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-benzofuran-5-carboxamide
PubChem CID72886642
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-(2-methoxyethyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-benzofuran-5-carboxamide
SMILESCOCCN(Cc1cnn(C)c1)C(=O)c1ccc2oc(C)cc2c1
InChIInChI=1S/C18H21N3O3/c1-13-8-16-9-15(4-5-17(16)24-13)18(22)21(6-7-23-3)12-14-10-19-20(2)11-14/h4-5,8-11H,6-7,12H2,1-3H3
InChIKeyDLVXWZPJXKENIW-UHFFFAOYSA-N
XLogP2.76
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]quinoxaline-2-carboxamide
CID 50971783
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CID 95723937
N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-(2H-tetrazol-5-yl)benzamide
CID 74241488
(3R)-7-methoxy-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97113013
N-(2-methoxyethyl)-2-(2-methylprop-2-enoxy)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 46986736
3-amino-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 119863755
N-ethyl-N-(4-hydroxybutyl)-2-methyl-1-benzofuran-5-carboxamide
CID 77096347
N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetamide
CID 72940518
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-5-methyl-1-benzofuran-2-carboxamide
CID 115772526
N-(2-methoxyethyl)-N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 42822305
N-(1,3-benzodioxol-5-ylmethyl)-6-(hydroxymethyl)-N-(2-methoxyethyl)pyridine-3-carboxamide
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4-amino-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 54905633

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-benzofuran-5-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-benzofuran-5-carboxamide (CID 72886642) is N-(2-methoxyethyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-benzofuran-5-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-benzofuran-5-carboxamide is COCCN(Cc1cnn(C)c1)C(=O)c1ccc2oc(C)cc2c1.
What is the InChIKey of N-(2-methoxyethyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-benzofuran-5-carboxamide?
The InChIKey is DLVXWZPJXKENIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-13-8-16-9-15(4-5-17(16)24-13)18(22)21(6-7-23-3)12-14-10-19-20(2)11-14/h4-5,8-11H,6-7,12H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-benzofuran-5-carboxamide?
N-(2-methoxyethyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-benzofuran-5-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-benzofuran-5-carboxamide is sourced from PubChem (CID 72886642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).