2-[[(5-methyl-1-benzofuran-2-carbonyl)amino]methyl]pentanoic acid

C16H19NO4 — CID 65219540

IUPAC2-[[(5-methyl-1-benzofuran-2-carbonyl)amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)c1cc2cc(C)ccc2o1)C(=O)O
InChIInChI=1S/C16H19NO4/c1-3-4-11(16(19)20)9-17-15(18)14-8-12-7-10(2)5-6-13(12)21-14/h5-8,11H,3-4,9H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyXETINBJGLUHRNV-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.97
Rot. Bonds6

About 2-[[(5-methyl-1-benzofuran-2-carbonyl)amino]methyl]pentanoic acid

2-[[(5-methyl-1-benzofuran-2-carbonyl)amino]methyl]pentanoic acid (PubChem CID 65219540) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-[[(5-methyl-1-benzofuran-2-carbonyl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[(5-methyl-1-benzofuran-2-carbonyl)amino]methyl]pentanoic acid
PubChem CID65219540
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name2-[[(5-methyl-1-benzofuran-2-carbonyl)amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)c1cc2cc(C)ccc2o1)C(=O)O
InChIInChI=1S/C16H19NO4/c1-3-4-11(16(19)20)9-17-15(18)14-8-12-7-10(2)5-6-13(12)21-14/h5-8,11H,3-4,9H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyXETINBJGLUHRNV-UHFFFAOYSA-N
XLogP2.97
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminobutyl)-5-methyl-1-benzofuran-2-carboxamide
CID 63731357
N-(2-chloropropyl)-5-methyl-1-benzofuran-2-carboxamide
CID 114296664
N-[2-(2-hydroxyethyl)-4-methylpentyl]-5-methyl-1-benzofuran-2-carboxamide
CID 111662426
N-(2-hydroxy-4-methylpentyl)-5-methyl-1-benzofuran-2-carboxamide
CID 103771495
N-(3-chlorobutyl)-5-methyl-1-benzofuran-2-carboxamide
CID 113272749
2-[[(2-chloro-4-methylbenzoyl)amino]methyl]pentanoic acid
CID 106860607
N,5-dimethyl-N-propyl-1-benzofuran-2-carboxamide
CID 177170487
N-(1,3-dihydroxypropan-2-yl)-5-methyl-1-benzofuran-2-carboxamide
CID 65314853
N-[(2-hydroxyphenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide
CID 115598745
benzyl 2-[(5-methyl-1-benzofuran-2-carbonyl)amino]acetate
CID 60550544
5-methyl-N-(2-methylpropoxy)-1-benzofuran-2-carboxamide
CID 115409727
N-(4-amino-4-sulfanylidenebutyl)-5-methyl-1-benzofuran-2-carboxamide
CID 55101977

Frequently Asked Questions

What is the IUPAC name of 2-[[(5-methyl-1-benzofuran-2-carbonyl)amino]methyl]pentanoic acid?
The IUPAC name of 2-[[(5-methyl-1-benzofuran-2-carbonyl)amino]methyl]pentanoic acid (CID 65219540) is 2-[[(5-methyl-1-benzofuran-2-carbonyl)amino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[(5-methyl-1-benzofuran-2-carbonyl)amino]methyl]pentanoic acid?
The canonical SMILES for 2-[[(5-methyl-1-benzofuran-2-carbonyl)amino]methyl]pentanoic acid is CCCC(CNC(=O)c1cc2cc(C)ccc2o1)C(=O)O.
What is the InChIKey of 2-[[(5-methyl-1-benzofuran-2-carbonyl)amino]methyl]pentanoic acid?
The InChIKey is XETINBJGLUHRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-3-4-11(16(19)20)9-17-15(18)14-8-12-7-10(2)5-6-13(12)21-14/h5-8,11H,3-4,9H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-[[(5-methyl-1-benzofuran-2-carbonyl)amino]methyl]pentanoic acid?
2-[[(5-methyl-1-benzofuran-2-carbonyl)amino]methyl]pentanoic acid has a molecular weight of 289.33 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5-methyl-1-benzofuran-2-carbonyl)amino]methyl]pentanoic acid is sourced from PubChem (CID 65219540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).