1-amino-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)cyclobutane-1-carboxamide

C16H24N2O2 — CID 81179233

IUPAC1-amino-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)cyclobutane-1-carboxamide
SMILESCc1cc2c(o1)CC(C)(C)CC2NC(=O)C1(N)CCC1
InChIInChI=1S/C16H24N2O2/c1-10-7-11-12(8-15(2,3)9-13(11)20-10)18-14(19)16(17)5-4-6-16/h7,12H,4-6,8-9,17H2,1-3H3,(H,18,19)
InChIKeyMYJHIKRHOSAOJJ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.60
Rot. Bonds2

About 1-amino-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)cyclobutane-1-carboxamide

1-amino-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)cyclobutane-1-carboxamide (PubChem CID 81179233) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-amino-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)cyclobutane-1-carboxamide
PubChem CID81179233
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-amino-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)cyclobutane-1-carboxamide
SMILESCc1cc2c(o1)CC(C)(C)CC2NC(=O)C1(N)CCC1
InChIInChI=1S/C16H24N2O2/c1-10-7-11-12(8-15(2,3)9-13(11)20-10)18-14(19)16(17)5-4-6-16/h7,12H,4-6,8-9,17H2,1-3H3,(H,18,19)
InChIKeyMYJHIKRHOSAOJJ-UHFFFAOYSA-N
XLogP2.60
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)cyclobutane-1-carboxamide (CID 81179233) is 1-amino-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)cyclobutane-1-carboxamide is Cc1cc2c(o1)CC(C)(C)CC2NC(=O)C1(N)CCC1.
What is the InChIKey of 1-amino-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)cyclobutane-1-carboxamide?
The InChIKey is MYJHIKRHOSAOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-10-7-11-12(8-15(2,3)9-13(11)20-10)18-14(19)16(17)5-4-6-16/h7,12H,4-6,8-9,17H2,1-3H3,(H,18,19).
What are the key properties of 1-amino-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)cyclobutane-1-carboxamide?
1-amino-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)cyclobutane-1-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 81179233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).