2-amino-2-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]pentanamide

C16H22N2O2 — CID 119789592

IUPAC2-amino-2-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]pentanamide
SMILESCCCC(C)(N)C(=O)NCc1oc2ccccc2c1C
InChIInChI=1S/C16H22N2O2/c1-4-9-16(3,17)15(19)18-10-14-11(2)12-7-5-6-8-13(12)20-14/h5-8H,4,9-10,17H2,1-3H3,(H,18,19)
InChIKeyBJMYFJMVGCEAIJ-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.87
Rot. Bonds5

About 2-amino-2-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]pentanamide

2-amino-2-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]pentanamide (PubChem CID 119789592) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]pentanamide.

Molecular Properties

Compound Name2-amino-2-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]pentanamide
PubChem CID119789592
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-amino-2-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]pentanamide
SMILESCCCC(C)(N)C(=O)NCc1oc2ccccc2c1C
InChIInChI=1S/C16H22N2O2/c1-4-9-16(3,17)15(19)18-10-14-11(2)12-7-5-6-8-13(12)20-14/h5-8H,4,9-10,17H2,1-3H3,(H,18,19)
InChIKeyBJMYFJMVGCEAIJ-UHFFFAOYSA-N
XLogP2.87
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]pentanamide?
The IUPAC name of 2-amino-2-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]pentanamide (CID 119789592) is 2-amino-2-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]pentanamide.
What is the SMILES notation for 2-amino-2-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]pentanamide?
The canonical SMILES for 2-amino-2-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]pentanamide is CCCC(C)(N)C(=O)NCc1oc2ccccc2c1C.
What is the InChIKey of 2-amino-2-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]pentanamide?
The InChIKey is BJMYFJMVGCEAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-4-9-16(3,17)15(19)18-10-14-11(2)12-7-5-6-8-13(12)20-14/h5-8H,4,9-10,17H2,1-3H3,(H,18,19).
What are the key properties of 2-amino-2-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]pentanamide?
2-amino-2-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]pentanamide has a molecular weight of 274.36 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]pentanamide is sourced from PubChem (CID 119789592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).