N-tert-butyl-2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)acetamide

C14H22N2O2 — CID 86780830

IUPACN-tert-butyl-2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)acetamide
SMILESCC(C)(C)NC(=O)CNC1CCCc2occc21
InChIInChI=1S/C14H22N2O2/c1-14(2,3)16-13(17)9-15-11-5-4-6-12-10(11)7-8-18-12/h7-8,11,15H,4-6,9H2,1-3H3,(H,16,17)
InChIKeyYDSDFHONHUHSKZ-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.16
Rot. Bonds3

About N-tert-butyl-2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)acetamide

N-tert-butyl-2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)acetamide (PubChem CID 86780830) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-tert-butyl-2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)acetamide
PubChem CID86780830
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-tert-butyl-2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)acetamide
SMILESCC(C)(C)NC(=O)CNC1CCCc2occc21
InChIInChI=1S/C14H22N2O2/c1-14(2,3)16-13(17)9-15-11-5-4-6-12-10(11)7-8-18-12/h7-8,11,15H,4-6,9H2,1-3H3,(H,16,17)
InChIKeyYDSDFHONHUHSKZ-UHFFFAOYSA-N
XLogP2.16
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)acetamide?
The IUPAC name of N-tert-butyl-2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)acetamide (CID 86780830) is N-tert-butyl-2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)acetamide.
What is the SMILES notation for N-tert-butyl-2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)acetamide?
The canonical SMILES for N-tert-butyl-2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)acetamide is CC(C)(C)NC(=O)CNC1CCCc2occc21.
What is the InChIKey of N-tert-butyl-2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)acetamide?
The InChIKey is YDSDFHONHUHSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-14(2,3)16-13(17)9-15-11-5-4-6-12-10(11)7-8-18-12/h7-8,11,15H,4-6,9H2,1-3H3,(H,16,17).
What are the key properties of N-tert-butyl-2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)acetamide?
N-tert-butyl-2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)acetamide has a molecular weight of 250.34 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)acetamide is sourced from PubChem (CID 86780830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).