2-amino-3-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pentanamide

C14H22N2O2 — CID 61273758

IUPAC2-amino-3-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pentanamide
SMILESCCC(C)C(N)C(=O)NC1CCCc2occc21
InChIInChI=1S/C14H22N2O2/c1-3-9(2)13(15)14(17)16-11-5-4-6-12-10(11)7-8-18-12/h7-9,11,13H,3-6,15H2,1-2H3,(H,16,17)
InChIKeyUFTAHCNPDJHJFM-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.15
Rot. Bonds4

About 2-amino-3-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pentanamide

2-amino-3-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pentanamide (PubChem CID 61273758) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-amino-3-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pentanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pentanamide
PubChem CID61273758
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-amino-3-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pentanamide
SMILESCCC(C)C(N)C(=O)NC1CCCc2occc21
InChIInChI=1S/C14H22N2O2/c1-3-9(2)13(15)14(17)16-11-5-4-6-12-10(11)7-8-18-12/h7-9,11,13H,3-6,15H2,1-2H3,(H,16,17)
InChIKeyUFTAHCNPDJHJFM-UHFFFAOYSA-N
XLogP2.15
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pentanamide?
The IUPAC name of 2-amino-3-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pentanamide (CID 61273758) is 2-amino-3-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pentanamide.
What is the SMILES notation for 2-amino-3-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pentanamide?
The canonical SMILES for 2-amino-3-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pentanamide is CCC(C)C(N)C(=O)NC1CCCc2occc21.
What is the InChIKey of 2-amino-3-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pentanamide?
The InChIKey is UFTAHCNPDJHJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-9(2)13(15)14(17)16-11-5-4-6-12-10(11)7-8-18-12/h7-9,11,13H,3-6,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-3-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pentanamide?
2-amino-3-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pentanamide has a molecular weight of 250.34 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pentanamide is sourced from PubChem (CID 61273758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).