N-(4-amino-1-methoxybutan-2-yl)-5-methyl-1-benzofuran-2-carboxamide

C15H20N2O3 — CID 106152091

IUPACN-(4-amino-1-methoxybutan-2-yl)-5-methyl-1-benzofuran-2-carboxamide
SMILESCOCC(CCN)NC(=O)c1cc2cc(C)ccc2o1
InChIInChI=1S/C15H20N2O3/c1-10-3-4-13-11(7-10)8-14(20-13)15(18)17-12(5-6-16)9-19-2/h3-4,7-8,12H,5-6,9,16H2,1-2H3,(H,17,18)
InChIKeyQEYDLFJEJSJXCR-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.83
Rot. Bonds6

About N-(4-amino-1-methoxybutan-2-yl)-5-methyl-1-benzofuran-2-carboxamide

N-(4-amino-1-methoxybutan-2-yl)-5-methyl-1-benzofuran-2-carboxamide (PubChem CID 106152091) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(4-amino-1-methoxybutan-2-yl)-5-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-amino-1-methoxybutan-2-yl)-5-methyl-1-benzofuran-2-carboxamide
PubChem CID106152091
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-(4-amino-1-methoxybutan-2-yl)-5-methyl-1-benzofuran-2-carboxamide
SMILESCOCC(CCN)NC(=O)c1cc2cc(C)ccc2o1
InChIInChI=1S/C15H20N2O3/c1-10-3-4-13-11(7-10)8-14(20-13)15(18)17-12(5-6-16)9-19-2/h3-4,7-8,12H,5-6,9,16H2,1-2H3,(H,17,18)
InChIKeyQEYDLFJEJSJXCR-UHFFFAOYSA-N
XLogP1.83
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-bromo-3-methoxypropan-2-yl)-5-methyl-1-benzofuran-2-carboxamide
CID 106184484
N-(1,3-dihydroxypropan-2-yl)-5-methyl-1-benzofuran-2-carboxamide
CID 65314853
N-(1-amino-4,4-dimethylpentan-3-yl)-5-methyl-1-benzofuran-2-carboxamide
CID 106357184
5-methyl-N-(2-methylpropoxy)-1-benzofuran-2-carboxamide
CID 115409727
4-amino-2-methyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-one
CID 114737056
N-(1-amino-1-sulfanylidenepropan-2-yl)-5-methyl-1-benzofuran-2-carboxamide
CID 55012612
N-(4-amino-1-methoxybutan-2-yl)-2-(3-methylphenyl)acetamide
CID 106152342
N-(2-aminobutyl)-5-methyl-1-benzofuran-2-carboxamide
CID 63731357
N-(4-amino-1-methoxybutan-2-yl)-2-methylfuran-3-carboxamide
CID 106152130
N-(4-amino-1-methoxybutan-2-yl)-3-(4-methylphenyl)propanamide
CID 106152335
N-(2-chloropropyl)-5-methyl-1-benzofuran-2-carboxamide
CID 114296664
N-(3-chlorobutyl)-5-methyl-1-benzofuran-2-carboxamide
CID 113272749

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1-methoxybutan-2-yl)-5-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(4-amino-1-methoxybutan-2-yl)-5-methyl-1-benzofuran-2-carboxamide (CID 106152091) is N-(4-amino-1-methoxybutan-2-yl)-5-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(4-amino-1-methoxybutan-2-yl)-5-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(4-amino-1-methoxybutan-2-yl)-5-methyl-1-benzofuran-2-carboxamide is COCC(CCN)NC(=O)c1cc2cc(C)ccc2o1.
What is the InChIKey of N-(4-amino-1-methoxybutan-2-yl)-5-methyl-1-benzofuran-2-carboxamide?
The InChIKey is QEYDLFJEJSJXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-3-4-13-11(7-10)8-14(20-13)15(18)17-12(5-6-16)9-19-2/h3-4,7-8,12H,5-6,9,16H2,1-2H3,(H,17,18).
What are the key properties of N-(4-amino-1-methoxybutan-2-yl)-5-methyl-1-benzofuran-2-carboxamide?
N-(4-amino-1-methoxybutan-2-yl)-5-methyl-1-benzofuran-2-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1-methoxybutan-2-yl)-5-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 106152091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).